Dr. Muhammad Naeem Ahmed

Dr. Muhammad Naeem Ahmed
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Personal Details
Dr. Muhammad Naeem Ahmed earned his Ph.D. in Organic Synthesis/Heterocyclic Chemistry in 2015 under the supervision of Prof. Dr. Khawaja Ansar Yasin (UAJ&K) and co-supervision of Prof. Dr. Shahid Hameed (QAU). He completed a six-month IRSIP Fellowship at Tsinghua University, Beijing, working on Click Chemistry and aryl ether synthesis under Prof. Dr. Hu.
He joined UAJ&K as Lecturer on July 1, 2006, was promoted to Assistant Professor on February 4, 2015, and Associate Professor (BPS) on September 14, 2017. He served as Director ORIC (Aug 2019–May 2023) and Chairman, Department of Chemistry (July 2022–July 2025).
Dr. Ahmed has published over 109 research articles, including two cover-featured papers in CrystEngComm (RSC). He has delivered invited talks at numerous national and international forums. His academic visits include Uludag, Akdeniz, and Usak Universities (Turkey) under Mevlana and Erasmus programs, and Egypt via HEC travel grant. He was recently awarded the TWAS-UNESCO Associateship at IASBS, Iran.
He received the Best Teacher Award in Science Group at UAJ&K for 2017 and 2021, and secured a PKR 3.82 million HEC-NRPU research grant. His research group includes Ph.D., MPhil, and BS students, with successful supervision of 3 Ph.D. and 45 MPhil scholars.
His research focuses on heterocyclic synthesis, biological evaluation, and phytochemical analysis of medicinal plants.
Associate Professor
PhD
Chemistry

  1. Naz, Hafsa, Zubaah Khalid, Saira Arif, Abdul Sattar, Muhammad Naeem Ahmed, and Muhammad Waseem. "High removal efficiency of arsenite from aqueous solution by cobalt ferrite functionalized sawdust driven activated carbon." Inorganic Chemistry Communications 178 (2025): 114615.

  2. Ahmed, Muhammad Naeem, Humaira Kashif, Muhammad Nawaz Tahir, Mohammad Shahidul Islam, Tahani Mazyad Almutairi, Mahmoud AA Ibrahim, Muhammad Adnan Bashir, Hiram Pérez, and Diego M. Gil. "Deciphering the Importance of Weak C H… O and C H… π Interactions in S‐Propyl (E)‐2‐(1, 1‐Dioxido‐2‐Propylbenzo [d] Isothiazol‐3 (2H)‐ylidene)‐1‐Propylhydrazine‐1‐Carbothioate: An Experimental and Theoretical Approach." Journal of Physical Organic Chemistry 38, no. 2 (2025): e4660.

  3. Zafar, Safeena, Bilal Ahmad Khan, Ikhtiar Ahmad, Muhammad Naeem Ahmed, Rasool Khan, Mahmoud AA Ibrahim, Aroosa Zafar, and Sirajul Haq. "Hydrothermal synthesis of Fe2O3–Ag2O nanocomposites supported on pristine, N/S doped graphene oxide for photocatalytic and biological applications." RSC advances 15, no. 37 (2025): 30089.

  4. Munsaf, Amna, Muhammad Naeem Ahmed, Ihsan ul Haq, Bilal Akram, and Mahmoud AA Ibrahim. "Cefixime‐Infused Green ZnO Nanoplatelets With Enhanced Biological Potential." Microscopy Research and Technique 88, no. 3 (2025): 895-904.

  5. Ibrahim, Mahmoud AA, Rofida MM Ahmed, Manar HA Hamad, Muhammad Naeem Ahmed, Shahzeb Khan, Tamer Shoeib, and Ahmed Rady. "Silicon carbide nanocage as a sensing material for nitroaniline isomers: insights from DFT computations." Chemical Papers (2025): 1-15.

  6. Munsaf, Amna, Muhammad Naeem Ahmed, Bilal Akrama, Aroosa Zafar, Ashraf MM Abdelbacki, Shahzeb Khan, and Mahmoud AA Ibrahim. "Green Synthesis of Cefixime@ Hematite as Multifunctional Biological Agent." ChemistrySelect 10, no. 36 (2025): e02393.

  7. Munsaf, Amna, Muhammad Naeem Ahmed, Aroosa Zafar, Bilal Akram, and Mahmoud AA Ibrahim. "Low temperature synthesis of franklinite stabilized cefixime as a multifunctional nanoformulation." RSC advances 14, no. 46 (2024): 34156-34164.
  8. Munsaf, Amna, Muhammad Naeem Ahmed, Ihsan ul Haq, Bilal Akram, and Mahmoud AA Ibrahim. "Cefixime‐Infused Green ZnO Nanoplatelets With Enhanced Biological Potential." Microscopy Research and Technique (2024).
  9. Ahmed, Muhammad Naeem, Hina Andleeb, Asmaa M. Fahim, Murtaza Madni, Sher Wali Khan, Babak Kaboudin, Mahmoud AA Ibrahim, Peter A. Sidhom, and Diego M. Gil. "Supramolecular assembly involving weak hydrogen bonds, anti-parallel π··· π stacking and O··· C tetrel bonding interactions and LOX studies in a 1H-pyrazol-1-yl) thiazole-4-carboxylate derivative: An experimental and theoretical study." Journal of Molecular Structure 1296 (2024): 136908.
  10. Kashif, Humaira, Muhammad Naeem Ahmed, Muhammad Altaf, Ihsan ul Haq, Anila Iqbal, and Sirajul Haq. "Rocephin‐graphene oxide‐silver nanocomposites: A versatile platform for biomedical applications." Microscopy Research and Technique 87 (2024): 1479-1493
  11. Bashir, Muhammad Adnan, Muhammad Naeem Ahmed, Diego M. Gil, Antonio Frontera, Jianguo Sun, Tahani Mazyad Almutairi, Muhammad N. Tahir, and Mahmoud AA Ibrahim. "Synthesis and X-ray characterization of two new 1, 4-benzoxazine derivatives: Structural analysis and DFT calculations." Journal of Molecular Structure (2024): 138802.
  12. Ibrahim, Mahmoud AA, Manar HA Hamad, Nayra AM Moussa, Omar H. Abd-Elkader, Shaban RM Sayed, Muhammad Naeem Ahmed, Ahmed M. Awad, and Tamer Shoeib. "Aluminium phosphide (Al 12 P 12) nanocage as a potential sensor for volatile organic compounds: A DFT study." RSC advances 14, no. 20 (2024): 13915-13925.
  13. Altaf, Muhammad, Muhammad Naeem Ahmed, Anila Iqbal, and Arshad Ali Khan. "Synthesis and characterization of novel organoclay-epoxy based flame retardant nanocomposites." Journal of Reinforced Plastics and Composites (2024): 07316844241272956.
  14. Ahmed, Muhammad Naeem, Humaira Kashif, Muhammad Nawaz Tahir, Mohammad Shahidul Islam, Tahani Mazyad Almutairi, Mahmoud AA Ibrahim, Muhammad Adnan Bashir, Hiram Pérez, and Diego M. Gil. "Deciphering the Importance of Weak C H…O and C H…π Interactions in S-Propyl (E)-2-(1,1-Dioxido-2-Propylbenzo[d] Isothiazol-3(2H) ylidene)-1-Propylhydrazine-1-Carbothioate:An Experimental and Theoretical Approach: An Experimental and Theoretical Approach." Journal of Physical Organic Chemistry (2024): e4660.
  15. Ibrahim, Mahmoud AA, Hassan AA Abuelliel, Nayra AM Moussa, Al-shimaa SM Rady, Shaban RM Sayed, Mohamed A. El-Tayeb, Muhammad Naeem Ahmed, Mohamed Khaled Abd El-Rahman, and Tamer Shoeib. "σ-Hole, lone-pair-hole, and π-hole site-based interactions in aerogen-comprising complexes: a comparative study." RSC advances 14, no. 31 (2024): 22408-22417.
  16. Ibrahim, Mahmoud AA, Heba SM Abd Elhafez, Mohammed NI Shehata, Nayra AM Moussa, Shaban RM Sayed, Mahmoud ES Soliman, Muhammad Naeem Ahmed, Mohamed Khaled Abd El-Rahman, and Tamer Shoeib. "Unconventional Radical and Radical-Hole Site-Based Interactions in Halogen-Bearing Dimers and Trimers: A Comparative Study." ACS omega 37(2024): 38743-38752.
  17. Elamin, Ghazi, Opeyemi S. Soremekun, Shaban RM Sayed, Peter A. Sidhom, Mahmoud AA Ibrahim, Muhammad Naeem Ahmed, and Mahmoud ES Soliman. "Sequence-Based Mechanistic Resolution of Amino Acid Replacement and Impact on the Activities of Peptide-Based Derivatives Targeting CXCR4 for the Treatment of Waldenström’s Macroglobulinemia." Journal of Computational Biophysics and Chemistry 23, no. 2 (2024): 207-221.
  18. Khan, Bilal Ahmad, Syeda Shamila Hamdani, Aqsa Jabeen, Muhammad Ashfaq, Muhammad Naeem Ahmed, Georgii Bogdanov, Aneela Khushal, Sara Khan, Siham Khalaf Alla Abdelrahim, and Abeer Ahmed Hassan. "Exploring S-benzyl carbodithioates as urease inhibitors: synthesis, single crystal XRD, Hirshfeld surface analysis, enzyme inhibition and molecular modeling." Journal of Molecular Structure 1311 (2024): 138444.
  19. Zafar, Safeena, Bilal Ahmad Khan, Ikhtiar Ahmad, Muhammad Naeem Ahmed, Aroosa Zafar, Rasool Khan, Mohamed A. El-Tayeb, Ahmed M. Awad, Tamer Shoeib, and Mahmoud AA Ibrahim. "Elucidating the potential of bimetallic mixed metal oxide (FeO/NiO) in fusion with pristine and N-and S-doped graphene oxide for biomedical applications." Chemical Physics Impact (2024): 100748.
  20. Ahmed, Muhammad Naeem, Maheen Akhtar, Hina Andleeb, Muhammad Adnan Bashir, Mahmoud AA Ibrahim, Peter A. Sidhom, Ifzan Arshad et al. "Crystal engineering with 1, 3, 4-oxadiazole derivatives: on the importance of CH⋯ N and CH⋯ π interactions." CrystEngComm 25, no. 48 (2023): 6710-6718.
  21. Ibrahim, Mahmoud AA, Mohammed NI Shehata, Hassan AA Abuelliel, Nayra AM Moussa, Shaban RM Sayed, Muhammad Naeem Ahmed, Mohamed K. Abd El-Rahman, Eslam Dabbish, and Tamer Shoeib. "Hole interactions of aerogen oxides with Lewis bases: an insight into σ-hole and lone-pair-hole interactions." Royal Society Open Science 10, no. 12 (2023): 231362.
  22. Ibrahim, Mahmoud AA, Rehab RA Saeed, Mohammed NI Shehata, Nayra AM Moussa, Ahmed M. Tawfeek, Muhammad Naeem Ahmed, Mohamed K. Abd El-Rahman, and Tamer Shoeib. "Sigma-hole and lone-pair-hole site-based interactions of seesaw tetravalent chalcogen-bearing molecules with Lewis bases." ACS omega 8, no. 36 (2023): 32828-32837.
  23. Fiaz, Sabahat, Muhammad Naeem Ahmed, Ihsan ul Haq, Syed Wadood Ali Shah, and Muhammad Waseem. "Green synthesis of cobalt ferrite and Mn doped cobalt ferrite nanoparticles: Anticancer, antidiabetic and antibacterial studies." Journal of Trace Elements in Medicine and Biology 80 (2023): 127292.
  24. Hayder, R., M. Hafeez, P. Ahmad, N. Memon, M. U. Khandaker, Z. M. Elqahtani, M. S. Al-Buriahi, Z. M. M. Mahmoud, and M. N. Ahmed. "Heavy Metal Estimation and Quality Assurance Parameters for Water Resources in the Northern Region of Pakistan. Water 2023, 15, 77." (2023).
  25. Ibrahim, Mahmoud AA, Al-shimaa SM Rady, Nayra AM Moussa, Muhammad Naeem Ahmed, Peter A. Sidhom, Ahmed M. Shawky, Alaa M. Alqahtani, and Lamiaa A. Mohamed. "Investigation of aluminum nitride nanocarrier for drug delivery process of Favipiravir: A DFT study." Journal of Molecular Liquids 372 (2023): 121209.
  26. Ibrahim, Mahmoud AA, Amna HM Mahmoud, Nayra AM Moussa, Gamal AH Mekhemer, Shaban RM Sayed, Muhammad Naeem Ahmed, Mohamed K. Abd El-Rahman, Eslam Dabbish, and Tamer Shoeib. "Adsorption Features of Tetrahalomethanes (CX4; X= F, Cl, and Br) on β 12 Borophene and Pristine Graphene Nanosheets: A Comparative DFT Study." Molecules 28, no. 14 (2023): 5476.
  27. Arshad, Ifzan, Khizar Qureshi, Shern-Long Lee, Safia Khan, Muhammad Amin Abid, Awais Bokhari, Aboud Ahmed Awadh Bahajjaj, and Muhammad Naeem Ahmed. "Melamine-benzaldehyde tris-schiff base as an efficient corrosion inhibitor for mild steel in 0.5 molar hydrochloric acid solution: Weight loss, electrochemical, theoretical and surface studies." Korean Journal of Chemical Engineering 40, no. 10 (2023): 2555-2564.
  28. Ibrahim, Mahmoud AA, Amna HM Mahmoud, Nayra AM Moussa, Gamal AH Mekhemer, Shaban RM Sayed, Muhammad Naeem Ahmed, Mohamed K. Abd El-Rahman, Eslam Dabbish, and Tamer Shoeib. "Adsorption Features of Tetrahalomethanes (CX4; X= F, Cl, and Br) on β 12 Borophene and Pristine Graphene Nanosheets: A Comparative DFT Study." Molecules 28, no. 14 (2023): 5476.
  29. Khan, Ashrafullah, Adnan Khan, Bushra Shal, Abdul Aziz, Muhammad Naeem Ahmed, and Salman Khan. "N‐(be nzylidene)‐2‐((2‐hydroxynaphthalen‐1‐yl) diazenyl) benzohydrazides (1‐2)(NCHDH and NTHDH) attenuate DMBA‐induced breast cancer via Nrf2/NF‐κB/apoptosis signaling." Fundamental & clinical pharmacology 36, no. 5 (2022): 879-897.
  30. Ibrahim, Mahmoud AA, Alaa HM Abdelrahman, Laila A. Jaragh-Alhadad, Mohamed AM Atia, Othman R. Alzahrani, Muhammad Naeem Ahmed, Moustafa Sherief Moustafa et al. "Exploring toxins for hunting SARS-CoV-2 main protease inhibitors: molecular docking, molecular dynamics, pharmacokinetic properties, and reactome study." Pharmaceuticals 15, no. 2 (2022): 153.
  31. Ibrahim, Mahmoud AA, Yasmeen AM Mohamed, Heba SM Abd Elhafez, Mohammed NI Shehata, Mahmoud ES Soliman, Muhammad Naeem Ahmed, H. R. Abd El-Mageed, and Nayra AM Moussa. "R•-hole interactions of group IV-VII radical-containing molecules: A comparative study." Journal of Molecular Graphics and Modelling 111 (2022): 108097.
  32. Ibrahim, Mahmoud AA, Alaa HM Abdelrahman, Esraa AA Badr, Nahlah Makki Almansour, Othman R. Alzahrani, Muhammad Naeem Ahmed, Mahmoud ES Soliman et al. "Naturally occurring plant-based anticancerous candidates as prospective ABCG2 inhibitors: An in silico drug discovery study." Molecular Diversity 26, no. 6 (2022): 3255-3277.
  33. Khan, Raja Azhar Saeed, Jamal Kazmi, Bushra Ansari, Syed Raza Ali Raza, Nadia Tabbasum, Mohd Ambri Mohamed, Jamil Kazmi and Muhammad naeem Ahmed. "N-pentylisatin and ZnO NWs based organic-inorganic hybrid device for broad range photodetection." Materials Chemistry and Physics 281 (2022): 125919.
  34. Ghias, Mehreen, Syed Wadood Ali Shah, Fakhria A. Al-Joufi, Mohammad Shoaib, Syed Muhammad Mukarram Shah, Muhammad Naeem Ahmed, and Muhammad Zahoor. "In vivo antistress effects of synthetic flavonoids in mice: behavioral and biochemical approach." Molecules 27, no. 4 (2022): 1402.
  35. Ibrahim, Mahmoud AA, Nayra AM Moussa, Afnan AK Kamel, Mohammed NI Shehata, Muhammad Naeem Ahmed, Fouad Taha, Mohammed AS Abourehab, Ahmed M. Shawky, Eslam B. Elkaeed, and Mahmoud ES Soliman. "External electric field effect on the strength of σ-hole interactions: a theoretical perspective in like⋯ like carbon-containing complexes." Molecules 27, no. 9 (2022): 2963.
  36. Ibrahim, Mahmoud AA, Nayra AM Moussa, Sherif MA Saad, Muhammad Naeem Ahmed, Ahmed M. Shawky, Mahmoud ES Soliman, Gamal AH Mekhemer, and Al-shimaa SM Rady. "σ-Hole and LP-Hole Interactions of Pnicogen··· Pnicogen Homodimers under the External Electric Field Effect: A Quantum Mechanical Study." ACS omega 7, no. 13 (2022): 11264-11275.
  37. Khan, Bilal Ahmad, Syeda Shamila Hamdani, Muhammad Naeem Ahmed, Shahid Hameed, Muhammad Ashfaq, Ahmed M. Shawky, Mahmoud AA Ibrahim, and Peter A. Sidhom. "Synthesis, X-ray diffraction analysis, quantum chemical studies and α-amylase inhibition of probenecid derived S-alkylphthalimide-oxadiazole-benzenesulfonamide hybrids." Journal of enzyme inhibition and medicinal chemistry 37, no. 1 (2022): 1464-1478.
  38. Ibrahim, Mahmoud AA, Rehab RA Saeed, Mohammed NI Shehata, Muhammad Naeem Ahmed, Ahmed M. Shawky, Manal M. Khowdiary, Eslam B. Elkaeed, Mahmoud ES Soliman, and Nayra AM Moussa. "Type I–IV halogen⋯ halogen interactions: a comparative theoretical study in halobenzene⋯ halobenzene homodimers." International Journal of Molecular Sciences 23, no. 6 (2022): 3114.
  39. Ibrahim, Mahmoud AA, Amna HM Mahmoud, Kamal A. Soliman, Gamal AH Mekhemer, Muhammad Naeem Ahmed, Ahmed M. Shawky, Mohammed AS Abourehab, Eslam B. Elkaeed, Mahmoud ES Soliman, and Nayra AM Moussa. "Borophene and Pristine Graphene 2D Sheets as Potential Surfaces for the Adsorption of Electron-Rich and Electron-Deficient π-Systems: A Comparative DFT Study." Nanomaterials 12, no. 6 (2022): 1028.
  40. Bari, Atiqul, Syed Muhammad Mukarram Shah, Fakhria A. Al-Joufi, Syed Wadood Ali Shah, Mohammad Shoaib, Ismail Shah, Muhammad Zahoor, Muhammad Naeem Ahmed  et al. "Effects of Artemisia macrocephala Jacquem on Memory Deficits and Brain Oxidative Stress in Streptozotocin-Induced Diabetic Mice." Molecules 27, no. 8 (2022): 2399.
  41. Madni, Murtaza, Muhammad Naeem Ahmed, Ghazala Abbasi, Shahid Hameed, Mahmoud AA Ibrahim, Muhammad N. Tahir, Muhammad Ashfaq, Diego M. Gil, Rosa M. Gomila, and Antonio Frontera. "Synthesis and X‐ray characterization of 4, 5‐dihydropyrazolyl‐thiazoles bearing a coumarin moiety: on the importance of antiparallel π‐stacking." ChemistrySelect 7, no. 36 (2022): e202202287.
  42. Khan, Bilal Ahmad, Syeda Shamila Hamdani, Muhammad Naeem Ahmed, Umer Rashid, Shahid Hameed, Mahmoud AA Ibrahim, Jamshed Iqbal, Cristian C. Granados, and Mario A. Macías. "Design, synthesis, crystal structures, computational studies, in vitro and in silico monoamine oxidase-A&B inhibitory activity of two novel S-benzyl dithiocarbamates." Journal of Molecular Structure 1265 (2022): 133317.
  43. Ibrahim, Mahmoud AA, Rehab RA Saeed, Mohammed NI Shehata, Esraa EB Mohamed, Mahmoud ES Soliman, Jabir H. Al-Fahemi, H. R. Abd El-Mageed, Muhammad Naeem Ahmed, Ahmed M. Shawky, and Nayra AM Moussa. "Unexplored σ-hole and π-hole interactions in (X2CY) 2 complexes (X= F, Cl; Y= O, S)." Journal of Molecular Structure 1265 (2022): 133232.
  44. Ghias, Mehreen, Muhammad Naeem Ahmed, Bakhtawar Sajjad, Mahmoud AA Ibrahim, Umer Rashid, Syed Wadood Ali Shah, Mohammad Shoaib, Murtaza Madni, Muhammad Nawaz Tahir, and Mario A. Macías. "1-Hydroxynaphthalene-4-trifluoromethylphenyl chalcone and 3‑hydroxy-4-trifluoromethylphenyl flavone: A combined experimental, structural, in vitro AChE, BChE and in silico studies." Journal of Molecular Structure 1253 (2022): 132253.
  45. Haq, Sirajul, Khawaja Ansar Yasin, Wajid Rehman, Muhammad Waseem, Muhammad Naeem Ahmed, Muhammad Imran Shahzad, Nadia Shahzad, Amreen Shah, Mahfooz Ur Rehman, and Basharat Khan. "Green synthesis of silver oxide nanostructures and investigation of their synergistic effect with moxifloxacin against selected microorganisms." Journal of Inorganic and Organometallic Polymers and Materials 31, no. 3 (2021): 1134-1142.
  46. Muhammad Naeem Ahmed, Murtaza Madni, Shaista Anjum, Saiqa Andleeb, Shahid Hameed, Abdul Majeed Khan, Muhammad Ashfaq, Muhammad Nawaz Tahir, Diego M. Gil, and Antonio Frontera. "Crystal engineering with pyrazolyl-thiazole derivatives: Structure-directing role of π-stacking and σ-hole interactions." CrystEngComm 23, no. 18 (2021): 3276-3287.
  47. Khan, Saba Urooge, Misbah Sultan, Atif Islam, Aneela Sabir, Sadaf Hafeez, Ismat Bibi, Muhammad Naeem Ahmed, Shahzad Maqsood Khan, Rafi Ullah Khan, and Munawar Iqbal. "Sodium alginate blended membrane with polyurethane: Desalination performance and antimicrobial activity evaluation." International Journal of Biological Macromolecules 182 (2021): 72-81.
  48. Hafeez, Muhammad, Ruzma Shaheen, Bilal Akram, Muhammad Naeem Ahmed, Sirajul Haq, Salah Ud Din, Maryum Zeb, and Muhammad Abdullah Khan. "Green synthesis of nickel oxide nanoparticles using populus ciliata leaves extract and their potential antibacterial applications." South African Journal of Chemistry 75 (2021): 168-173.
  49. Muhammad Naeem Ahmed, Mehreen Ghias, Syed Wadood Ali Shah, Mohammad Shoaib, Muhammad Nawaz Tahir, Muhammad Ashfaq, Mahmoud AA Ibrahim, Hina Andleeb, Diego M. Gil, and Antonio Frontera. "X-ray characterization, Hirshfeld surface analysis, DFT calculations, in vitro and in silico lipoxygenase inhibition (LOX) studies of dichlorophenyl substituted 3-hydroxy-chromenones." New Journal of Chemistry 45, no. 42 (2021): 19928-19940.
  50. Muhammad Naeem Ahmed, Sadia Shabbir, Bakhtawar Batool, Tariq Mahmood, Umer Rashid, Khawaja Ansar Yasin, Muhammad Nawaz Tahir, ML Arias Cassará, and Diego M. Gil. "A New Insight into Non-covalent Interactions in 1, 4-Disubstituted 1H-1, 2, 3-Triazole: Synthesis, X-ray structure, DFT calculations, in vitro Lipoxygenase Inhibition (LOX) and in silico Studies." Journal of Molecular Structure 1236 (2021): 130283.
  51. Kosar, Naveen, Faizan Ullah, Khurshid Ayub, Umer Rashid, Muhammad Imran, Muhammad Naeem Ahmed, and Tariq Mahmood. "Theoretical investigation of halides encapsulated Na@ B40 nanocages for potential applications as anodes for sodium ion batteries." Materials Science in Semiconductor Processing 121 (2021): 105437.
  52. Andleeb, Hina, Lubna Danish, Shiza Munawar, Muhammad Naeem Ahmed, Imtiaz Khan, Hafiz Saqib Ali, Muhammad Nawaz Tahir, Jim Simpson, and Shahid Hameed. "Theoretical and computational insight into the supramolecular assemblies of Schiff bases involving hydrogen bonding and CH… π interactions: Synthesis, X-ray characterization, Hirshfeld surface analysis, anticancer activity and molecular docking analysis." Journal of molecular structure 1235 (2021): 130223.
  53. Ahmed, Muhammad Naeem, Muneeba Arif, Hina Andleeb, Syed Wadood Ali Shah, Ifzan Arshad, Muhammad Nawaz Tahir, Mariana Rocha, and Diego M. Gil. "Interplay of weak noncovalent interactions in alkoxybenzylidene derivatives of benzohydrazide and acetohydrazide: a combined experimental and theoretical investigation and lipoxygenase inhibition (LOX) studies." CrystEngComm 23, no. 4 (2021): 955-971.
  54. Ahmed, Muhammad Naeem, Komal Nadeem, Hina Andleeb, Masoome Sheikhi, Zahid Majeed, Syed Wadood Ali Shah, Muhammad Nawaz Tahir, Mariana Rocha, and Diego M. Gil. "Exploring weak intermolecular interactions in two bis-1, 3, 4-oxadiazoles derivatives: A combined X-ray diffraction, Hirshfeld surface analysis and theoretical studies." Journal of Molecular Structure 1232 (2021): 130030.
  55. Nasim, Sahar, Mohib Shah, Syed Wadood Ali Shah, Muhammad Naeem Ahmed, Mubashir Ahmad, Natasha Anwar, and Mehreen Ghias. "Activity guided isolation and mechanistic approach towards analgesic potential of Chenopodium mediated through opioidergic pathway." Pakistan Journal of Pharmaceutical Sciences 34 (2021) pp. 1 97–203
  56. Madni, Murtaza, Muhammad Naeem Ahmed, Muhammad Hafeez, Muhammad Ashfaq, Muhammad Nawaz Tahir, Diego M. Gil, Bartomeu Galmés, Shahid Hameed, and Antonio Frontera. "Recurrent π–π stacking motifs in three new 4, 5-dihydropyrazolyl–thiazole–coumarin hybrids: X-ray characterization, Hirshfeld surface analysis and DFT calculations." New Journal of Chemistry 44, no. 34 (2020): 14592-14603.
  57. Hamdani, Syeda Shamila, Bilal Ahmad Khan, Muhammad Naeem Ahmed, Shahid Hameed, Kulsoom Akhter, Khurshid Ayub, and Tariq Mahmood. "Synthesis, crystal structures, computational studies and α-amylase inhibition of three novel 1, 3, 4-oxadiazole derivatives." Journal of Molecular Structure 1200 (2020): 127085.
  58. Khan, Ashraf Ullah, Amir Muhammad Khan, Adnan Khan, Bushra Shal, Abdul Aziz, Muhammad Naeem Ahmed, and Salman Khan. "The newly synthesized compounds (NCHDH and NTHDH) attenuates LPS-induced septicemia and multi-organ failure via Nrf2/HO1 and HSP/TRVP1 signaling in mice." Chemico-Biological Interactions 329 (2020): 109220.
  59. Arshad, Ifzan, Aamer Saeed, Pervaiz Ali Channar, Syeda Aaliya Shehzadi, Muhammad Naeem Ahmed, and Muhammad Siddiq. "Bis-Schiff bases of 2, 2′-dibromobenzidine as efficient corrosion inhibitors for mild steel in acidic medium." RSC advances 10, no. 8 (2020): 4499-4511.
  60. Akhter, Kulsoom, Tahseen Ghous, Zain Ul-Abdin, Saiqa Andleeb, Muhammad Naeem Ahmed, and Basharat Hussain. "Chromium bioaccumulation potential of Bacillus cereus isolated from rhizospheres of Tagetes minuta L." Bangladesh Journal of Botany 49, no. 1 (2020): 47-54.
  61. Ahmed, Muhammad Naeem, Khawaja Ansar Yasin, Shahid Aziz, Saba Urooge Khan, Muhammad Nawaz Tahir, Diego Mauricio Gil, and Antonio Frontera. "Relevant π-hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxoacetate derivatives: Hirshfeld surface analysis and DFT calculations." CrystEngComm 22, no. 21 (2020): 3567-3578.
  62. Khan, Abdul Majeed, Abdul Hadi Safi, Muhammad Naeem Ahmed, Ali Raza Siddiqui, Muhammad Arsalan Usmani, Saad-ul-Haq Khan, and Kousar Yasmeen. "Biodiesel synthesis from waste cooking oil using a variety of waste marble as heterogeneous catalysts." Brazilian Journal of Chemical Engineering 36, no. 4 (2020): 1487-1500.
  63. Ali, Shaukat, Ayesha Wisal, Muhammad Nawaz Tahir, Asghar Ali, Shahid Hameed, and Muhammad Naeem Ahmed. "One-pot synthesis, crystal structure and antimicrobial activity of 6-benzyl-11-(p-tolyl)-6H-indolo [2, 3-b] quinoline." Journal of Molecular Structure 1210 (2020): 128035.
  64. Majeed, Zahid, Kiran Khurshid, Zainab Ajab, Qingjie Guan, Basharat Ahmad, Irsa Mumtaza, Muhammad Naeem Ahmed, Raja Amjad Waheed Khan, and Saiqa Andleeb. "Agronomic evaluation of controlled release of micro urea encapsulated in rosin maleic anhydride adduct." Journal of Plant Nutrition 43, no. 12 (2020): 1794-1812.
  65. Chang, Fouzia, Shahabuddin Memon, Muhammad NaeemAhmed, Muhammad Nawaz Tahir, Abdul SattarChang, and Muhammad Hassan Agheem. "Synthesis, Crystal Structure and Antimicrobial Activity of Poly [bis-µ-3, 5-dinitro-2-oxidobenzoato)(py) Cu II]." Journal of the Chemical Society of Pakistan 42, no. 6 (2020).
  66. Zeeshan, Sara, Muhammad Naveed, Adnan Khan, Ayesha Atiq, Maryam Arif, Muhammad Naeem Ahmed, Yeong Shik Kim, and Salman Khan. "N-Pyrazoloyl and N-thiopheneacetyl hydrazone of isatin exhibited potent anti-inflammatory and anti-nociceptive properties through suppression of NF-κB, MAPK and oxidative stress signaling in animal models of inflammation." Inflammation Research 68, no. 7 (2019): 613-632.
  67. Butt, Arshad Farooq, Muhammad Naeem Ahmed, Moazzam Hussain Bhatti, Muhammad Aziz Choudhary, Khurshid Ayub, Muhammad Nawaz Tahir, and Tariq Mahmood. "Synthesis, structural properties, DFT studies, antimicrobial activities and DNA binding interactions of two newly synthesized organotin (IV) carboxylates." Journal of Molecular Structure 1191 (2019): 291-300.
  68. Ahmed, Muhammad Naeem, Maryam Arif, Farah Jabeen, Haroon Ahmed Khan, Khawaja Ansar Yasin, Muhammad Nawaz Tahir, Antonio Franconetti, and Antonio Frontera. "On the importance of antiparallel π–π interactions in the solid state of isatin-based hydrazides." New Journal of Chemistry 43, no. 21 (2019): 8122-8131.
  69. Crystal structure analysis of 1-hydroxy-3,5-dimethoxy-9H-xanthen-9-one isolated from ajuga bracteosa root extract and its biological studies
    Akhter, K., Ahmed, M.N., Ghous, T., ... Tahir, M.N., Arshad, I.
    Jiegou HuaxueOpen source preview, 2019, 38(9), pp. 1519–1529
  70. Shah, Syed Wadood Ali, Mohammad Shoaib, Mehreen Ghias, Muhammad Naeem Ahmed, Abdul Hameed, and Ismail Shah. "Surface engineered gold nanorods: intelligent delivery system for cancer therapy." Metal Nanoparticles for Drug Delivery and Diagnostic Applications (2020): 85-98.
  71. Ahmed, Muhammad Naeem, Maryam Arif, Farah Jabeen, Haroon Ahmed Khan, Khawaja Ansar Yasin, Muhammad Nawaz Tahir, Antonio Franconetti, and Antonio Frontera. "On the importance of antiparallel π–π interactions in the solid state of isatin-based hydrazides." New Journal of Chemistry 43, no. 21 (2019): 8122-8131.
  72. Hafeez, Muhammad, Rabia Arshad, Muhammad Usman Hameed, Bilal Akram, Muhammad Naeem Ahmed, Syed Ayaz Kazmi, Ikhtiar Ahmad, and Shaukat Ali. "Populus ciliata leaves extract mediated synthesis of zinc oxide nanoparticles and investigation of their anti-bacterial activities." Materials Research Express 6, no. 7 (2019): 075064.
  73. Ahmed, Muhammad Naeem, Khalil Ahmad, Khawaja Ansar Yasin, Tayyaba Farooq, Bilal Ahmad Khan, and Soumendra K. Roy. "Ligand-free Cu (ii)-catalyzed aerobic etherification of aryl halides with silanes: an experimental and theoretical approach." New Journal of Chemistry 43, no. 28 (2019): 11316-11333.
  74. Khan, Abdul Majeed, Abdul Hadi Safi, Muhammad Naeem Ahmed, Ali Raza Siddiqui, Muhammad Arsalan Usmani, Saad-ul-Haq Khan, and Kousar Yasmeen. "Biodiesel synthesis from waste cooking oil using a variety of waste marble as heterogeneous catalysts." Brazilian Journal of Chemical Engineering 36, no. 4 (2020): 1487-1500.
  75. Khan, Umerdaraz, Abdul Niaz, Afzal Shah, Muhammad Iqbal Zaman, Muhammad Abid Zia, Faiza Jan Iftikhar, Jan Nisar, Muhammad Naeem Ahmed, Mohammad Salim Akhter, and Aamir Hassan Shah. "Thiamine-functionalized silver nanoparticles for the highly selective and sensitive colorimetric detection of Hg 2+ ions." New Journal of Chemistry 42, no. 1 (2018): 528-534.
  76. Ahmed, Muhammad Naeem, Beenish Sadiq, Najim A. Al-Masoudi, Khawaja Ansar Yasin, Shahid Hameed, Tariq Mahmood, Khurshid Ayub, and Muhammad Nawaz Tahir. "Synthesis, crystal structures, computational studies and antimicrobial activity of new designed bis ((5-aryl-1, 3, 4-oxadiazol-2-yl) thio) alkanes." Journal of Molecular Structure 1155 (2018): 403-413.
  77. Rasheed, Hina, Ruqayya Afridi, Ashraf Ullah Khan, Muhammad Zia Ullah, Sidra Khalid, Ayesha Atiq, Humaira Kashif, Muhammad Naeem Ahmed, Yeong Shik Kim, and Salman Khan. "Anti-inflammatory, anti-rheumatic and analgesic activities of 2-(5-mercapto-1, 3, 4-oxadiazol-2-yl)-N-propylbenzenesulphonamide (MOPBS) in rodents." Inflammopharmacology 26, no. 4 (2018): 1037-1049.
  78. Madni, Murtaza, Muhammad Naeem Ahmed, Shahid Hameed, Syed Wadood Ali Shah, Umer Rashid, Khurshid Ayub, M. Nawaz Tahir, and Tariq Mahmood. "Synthesis, quantum chemical, in vitro acetyl cholinesterase inhibition and molecular docking studies of four new coumarin based pyrazolylthiazole nuclei." Journal of Molecular Structure 1168 (2018): 175-186.
  79. Khan, Bilal A., Safeena Zafar, Ehsan Ullah Mughal, Muhammad Naeem Ahmed, Syeda Shamila Hamdani, Tashfeen Akhtar, Amina Sadiq, and Khalid Mohammed Khan. "Design and synthesis of novel 1, 3, 4-oxadiazole derivatives bearing azo moiety as biologically significant scaffolds." Letters in Drug Design & Discovery 15, no. 12 (2018): 1346-1355.
  80. Irshad, Muhammad, Shahid Aziz, Muhammad Naeem Ahmed, Ghulam Asghar, Muhammad Akram, and Muhammad Shahid. "Comparisons of chemical and biological studies of essential oils of stem, leaves and seeds of Zanthoxylum alatum Roxb growing wild in the state of Azad Jammu and Kashmir, Pakistan." Records of Natural Products 12, no. 6 (2018): 638.
  81. Minhas, Fiaz Aziz, Muhammad Naeem Ahmed, Khawaja Ansar Yasin, and Abdul Majeed Khan. "Two New Compounds from Elaeagnus umbellata Thunb." Journal of the Chemical Society of Pakistan 40, no. 1 (2018).
  82. Hafeez, Muhammad, Rashida Fiaz, Muhammad Naeem Ahmed, Srosh Fazil, Rizwan Hayder, Akbar Ali, and Abdul Majeed Khan. "Liquid-Liquid Extraction of Uranium from Nitric Acid Solution Using N, N-Di (2-ethyl-hexyl) hexanamide (DOHA) in Dodecane as Extractant." Journal of the Chemical Society of Pakistan 40, no. 2 (2018).
  83. Khan, Abdul Majeed, Shamsa Naz, Muhammad Naeem Ahmed, and Kousar Yasmeen. "Green and renewable electricity generation from wastewater inoculated with seaweeds extract using novel tool of bioreactors." Indian Journal of Geo Marine Sciences 47, no. 05 (2018): 1081-1087.
  84. Ahmed, Muhammad Naeem, Iffat Ashraf, and Khawaja Ansar Yasin. "Synthesis, characterization, anti-leishmanial activity and in silico studies of 5-(4-methoxyphenyl)-2-(undecylthio)-1, 3, 4-oxadiazole." (2018): 773-781.
  85. Structure elucidation and biological screening of Bis(4-{[(E)-(2-Hydroxybenzylidene)amino]methyl}- cyclohexane-carboxylato-O)-triaqua-cadmium
    Muhammad, D., Saba, A., Muhammad, N.T., ... Muhammad, A.R., Muhammad, A.
    Jiegou HuaxueOpen source preview, 2018, 37(6), pp. 871–877
  86. Ahmed, Muhammad Naeem, Khawaja Ansar Yasin, Shahid Hameed, Khurshid Ayub, Ihsan-ul Haq, M. Nawaz Tahir, and Tariq Mahmood. "Synthesis, structural studies and biological activities of three new 2-(pentadecylthio)-5-aryl-1, 3, 4-oxadiazoles." Journal of Molecular Structure 1129 (2017): 50-59.
  87. Ahmed, Muhammad Naeem, Khawaja Ansar Yasin, Shahid Hameed, Khurshid Ayub, Ihsan-ul Haq, M. Nawaz Tahir, and Tariq Mahmood. "Synthesis, structural studies and biological activities of three new 2-(pentadecylthio)-5-aryl-1, 3, 4-oxadiazoles." Journal of Molecular Structure 1129 (2017): 50-59.
  88. 4-((4-Chlorophenylsulfonamido)methyl)cyclohexanecarboxylic acid: Synthesis, crystal structure and biological activities
    Muhammad, D., Rabia, A.B., Muhammad, N.T., ... Muhammad, N.A., Haleema, Q.
    Jiegou HuaxueOpen source preview, 2017, 36(8), pp. 1307–1314
  89. Irshad, Muhammad, Raymond CF Jones, Muhammad Naeem Ahmed, Muhammad Shahid, and Shahid Aziz. "New Pyrroloimidazoles by 1, 3-Dipolar Cycloaddition and their Biological Activities." Journal of the Chemical Society of Pakistan 39, no. 1 (2017).
  90. Shoaib, Mohammad, Syed Wadood Ali Shah, Shafiullah Shah, Nawaz Khan, and Muhammad Naeem Ahmed. "Synthesis, characterization and antinociceptive activities of Novel 2-(2, 4-dichlorophenyl)-4H-chromen-4-one." Pakistan Journal of Pharmaceutical Sciences 30, no. 6 (2017).
  91. Synthesis, crystal structure, spectral analysis, DFT studies and antimicrobial activity of ethyl 6-(4-(ethoxycarbonyl)-1H-1,2,3-triazol-1-yl)pyridine-3-carboxylate
    Ahmed, M.N., Yasin, K.A., Hussain Khan, R.A., ... Khan, A.M., Tahir, M.N.
    Journal of the Chemical Society of PakistanOpen source preview, 2017, 39(4), pp. 640–649
  92. Akhter, Kulsoom, Tahseen Ghous, Saiqa Andleeb, Faiz-ul-Hassan Nasim, Samina Ejaz, Bilal Ahmed Khan, and Muhammed Naeem Ahmed. "Bioaccumulation of heavy metals by metal-resistant bacteria isolated from Tagetes minuta rhizosphere, growing in soil adjoining automobile workshops." Pakistan Journal of Zoology 49, no. 5 (2017).
  93. Ahmed, Muhammad Naeem, Khawaja Ansar Yasin, Khurshid Ayub, Tariq Mahmood, M. Nawaz Tahir, Bilal Ahmad Khan, Muhammad Hafeez, and Madiha Ahmed. "Click one pot synthesis, spectral analyses, crystal structures, DFT studies and brine shrimp cytotoxicity assay of two newly synthesized 1, 4, 5-trisubstituted 1, 2, 3-triazoles." Journal of Molecular Structure 1106 (2016): 430-439.
  94. Hafeez, Muhammad, Muhammad Naeem Ahmed, Muhammad Mushtaq Farooqi, Noor-ul-Ain Butt, and Abdul Rauf. "Lead and Cadmium Concentration in the Human Blood Samples of Muzaffarabad, AJK, Pakistan." Pakistan Journal of Zoology 48, no. 5 (2016).
  95. One-pot synthesis, characterization and crystal structure determination of novel 1,4,5-Trisubstituted 1,2,3-Triazole with two conformational isomers: 1-Benzyl-5-((4- methoxyphenyl)ethynyl)-4-phenyl-1H-1,2,3-triazole
    Ahmed, M.N., Yasin, K.A., Khan, B.A., ... Arshad, I., Irshad, M.
    Jiegou HuaxueOpen source preview, 2016, 35(1), pp. 55–60
  96. Khan, Bushra, Tahseen Ghous, Aamir Rasheed, Khawaja Ansar Yasin, Muhammad Naeem Ahmed, and Saiqa Andleeb. "Evaluation of Anti-Acetylcholinesterase Activity and Antioxidant Potential of Ricinine (a Central Nervous System Stimulant) Isolated from Ricinius communis L." Journal of the Chemical Society of Pakistan 38, no. 2 (2016).
  97. Synthesis, crystal structure and antimicrobial activity of {[bis(pyridine-κN)bis(3,5-dinitrosalicylato κ-O,O′)Zn(II)][bis(pyridine-κN)Zn(II)]}
    Chang, F., Memon, N., Ahmed, M.N., ... Bhanger, M.I., Chandio, A.
    Jiegou HuaxueOpen source preview, 2016, 35(5), pp. 705–712
  98. Synthesis and structural investigations of new 4-Hexyl-1-(4-nitrophenyl)-1-H-1,2,3-triazole: An experimental and theoretical insight
    Muhammad, N.A., Khawaja, A.Y., Tariq, M., ... Safeena, Z., Shaista, A.
    Jiegou HuaxueOpen source preview, 2015, 34(12), pp. 1830–1840
  99. Synthesis, crystal structure and DNA interaction study of 3-(2-(3,5-Diphenyl-4,5-dihydropyrazol- 1-yl)thiazol-4-yl)-2H-chromen-2-one
    Madni, M., Hameed, S., Ahmed, M.N., Yasin, K.A., Tahir, M.N.
    Jiegou HuaxueOpen source preview, 2015, 34(7), pp. 1013–1018
  100. Syntheses, characterization and crystal structures of two novel oxazoline based titanium complexes
    Muhammad, H., Muhammad, N.A., Sonja, L., Winfried, P.K.
    Jiegou HuaxueOpen source preview, 2015, 34(7), pp. 1121–1127
  101. One-pot synthesis, crystal structures and antimicrobial activities of two new 1,4-disubstituted 1,2,3-triazole-4-carboxylates
    Muhammad, N.A., Khawaja, A.Y., Muhammad, N.T., Ifzan, A., Murtaza, M.
    Jiegou HuaxueOpen source preview, 2015, 34(1), pp. 26–32
  102. Molecular structure of (1-Benzyl-4-phenyl-1H-1,2,3-triazol-5-yl)(4-bromophenyl)methanone: A combined experimental and theoretical study
    Muhammad, N.A., Ifzan, A., Wang, B., ... Khawaja, A.Y., Muhammad, M.N.
    Jiegou HuaxueOpen source preview, 2014, 33(12), pp. 1749–1756
  103. Tahir, Muhammad Nawaz, Muhammad Naeem Ahmed, Arshad Farooq Butt, and Hazoor Ahmad Shad. "Crystal structure of 4-(3-carboxypropanamido)-2-hydroxybenzoic acid monohydrate." Structure Reports 70, no. 12 (2014): o1254-o1255.
  104. Synthesis, crystal structure and antimicrobial activity of ethyl 2-(1-cyclohexyl-4-phenyl-1H-1,2,3-triazol-5-yl)-2-oxoacetate
    Muhammad, N.A., Shahid, H., Khawaja, A.Y., ... Safeena, Z., Muhammad, N.T.
    Jiegou HuaxueOpen source preview, 2014, 33(11), pp. 1666–1672
  105. Ahmed, Muhammad Naeem, Khawaja Ansar Yasin, M. Nawaz Tahir, Asma Bibi, and Hina Andleeb. "Ethyl 6-(4-cyclopropyl-1H-1, 2, 3-triazol-1-yl) pyridine-3-carboxylate." Structure Reports 70, no. 2 (2014): o136-o136.
  106. Ahmed, Muhammad Naeem, Khawaja Ansar Yasin, M. Nawaz Tahir, Muhammad Hafeez, and Shahid Aziz. "Ethyl 2-[1-(3-methylbutyl)-4-phenyl-1H-1, 2, 3-triazol-5-yl]-2-oxoacetate." Structure Reports 69, no. 12 (2013): o1768-o1768.
  107. Wang, Bo, Muhammad Naeem Ahmed, Jianlan Zhang, Wenwen Chen, Xinyan Wang, and Yuefei Hu. "Easy preparation of 1, 4, 5-trisubstituted 5-(2-alkoxy-1, 2-dioxoethyl)-1, 2, 3-triazoles by chemoselective trapping of copper (I)–carbon bond with alkoxalyl chloride." Tetrahedron Letters 54, no. 45 (2013): 6097-6100.
  108. Iqbal, Rashid, Saeeda Aziz, Muhammad Naeem Ahmed, Ghulam Qadeer, and W-Y. Wong. "Ethyl 2-({5-[2-(benzoylamino) phenyl]-1, 3, 4-oxadiazol-2-yl} sulfanyl) acetate." Structure Reports 63, no. 2 (2007): o1021-o1022.
  109.  

Organic Synthesis
Heterocyclic Chemistry
Synthesis of Biologically Active Molecules
Natural Products
Nanomaterials loaded with selected drugs

UAJ&K University Best Teacher Award for the Year 2021
UAJ&K University Best Teacher Award for the Year 2017
HEC NRPU-17373 titled “Compounds with acefylline and ciprofloxacin core:
Design, synthesis, biological and structural studies” 3.82 million PKR 2022.
Travel grant awarded by HEC Pakistan (183645 Rs) for “1st International
Conference NCPAC17 Chemistry for Sustainable Future” Cairo, Egypt 23-24
October 2017
Visit to USAK University Turkey, to participate in USAK University International
Staff Week 2022 reconnection in new era between 6th-10th June, 2022.
Visit to Akdeniz University Antalya Turkey as Mevlana Instructor at Department of
The chemistry between 10-25 March, 2020.
Visit to Uludag University Bursa Turkey as Mevlana Instructor at Department of
Chemistry between 10-25 December, 2018
TWAS-UNESCO Associateship at IASBS Zanjan, Iran (1st visit: June-August 2023, 2nd visit: August-October, 2025)
Life Member The Chemical Society of Pakistan (A-0007)

Research Details
Yes
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