Dr. Tariq’s research focuses on the design, synthesis, and pharmacological evaluation of novel chemical entities with therapeutic potential, combining medicinal chemistry and computational drug discovery approaches. He specializes in synthesizing bioactive molecules, optimizing their structure-activity relationships (SAR), and screening them against disease targets using in vitro and in vivo models. Additionally, he employs computational techniques, such as molecular docking, molecular dynamics simulations, and AI-driven virtual screening, to predict drug behavior, refine lead compounds, and elucidate mechanisms of action. By integrating wet-lab experimentation with in silico modeling, his work accelerates the discovery of promising drug candidates while providing mechanistic insights into their biological effects.

1.           Afzal, H. R.; Khan, N. u. H.; Sultana, K.; Mobashar, A.; Lareb, A.; Khan, A.; Gull, A.; Afzaal, H.; Khan, M. T.; Rizwan, M., Schiff bases of pioglitazone provide better antidiabetic and potent antioxidant effect in a streptozotocin–nicotinamide-induced diabetic rodent model. ACS omega 2021, 6 (6), 4470-4479.

2.           Anwar, M.; Badshah, I.; Murtaza, B.; Muzzammil Masaud, S.; Ilyas, U.; Kiyani, A.; Patoli, D.; Tariq Khan, M., Rosmarinic acid attenuates photophobia, hyperalgesia and neuroinflammation during nitroglycerine induced migraine like headache in mice. Natural Product Research 2025, 1-10.

3.           Aqeel, M. T.; Rahman, N.-u.; Khan, A.-u.; Khan, M. T.; Ashraf, Z.; ul Hassan, S. S.; Bungau, S. G.; Majid, M., Cardioprotective effect of 2-methoxy phenol derivatives against oxidative stress-induced vascular complications: an integrated in vitro, in silico, and in vivo investigation. Biomedicine & Pharmacotherapy 2023, 165, 115240.

4.           Arif, M. N.; Sheikh, A. S.; Shah, I.; Javed, T.; Fatima, J.; Khurram, Y.; Ullah, I.; Naveed, K.; Mallal, Z.; Sufyan, M., New Thiazolidine-4-Carboxylic Acid Derivatives Act as Promising α-Amylase and α-Glucosidase Inhibitors; Synthesis, In Vitro Pharmacological Evaluation and In Silico Molecular Docking Study. Journal of Pharma and Biomedics 2025, 3 (1), 11-21.

5.           Batool, A.; Miana, G. A.; Alam, M.; Khan, M. T.; Muddassir, M.; Zaman, W.; Khan, S.; Aman, A.; Khusro, A.; Arasu, M. V., Bioassay-guided fractionation and isolation of Arctigenin from Saussurea heteromalla for in vitro and in silico cytotoxic activity against HeLa cells. Physiological and Molecular Plant Pathology 2022, 117, 101749.

6.           Batool, A.; Muddassir, M.; Alshammari, B. H.; Alsahli, T. G.; Solre, G. F.; Liu, Y.; Khan, M. T.; Malik, N. S.; Ahsan, H.; Khan, M. T., Acute toxicity appraisal of Saussurea heteromalla extract and development of its chemotherapeutic herbal dosage form. Plos one 2024, 19 (5), e0302657.

7.           Bukhari, A.; Nadeem, H.; Sarwar, S.; Abbasi, I.; Khan, M. T.; Hamid, I.; Bukhari, U., Exploring therapeutic potential of 1, 3, 4-oxadiazole nucleus as anticancer agents: a mini-review. Medicinal Chemistry 2023, 19 (2), 119-131.

8.           Bukhari, A.; Nadeem, H.; Sarwar, S.; Abbasi, I.; Khan, M. T.; Hamid, I.; Bukhari, U., For personal private use only. Medicinal Chemistry 2023, 19, 119-131.

9.           Iqbal, S.; Shah, F. A.; Naeem, K.; Nadeem, H.; Sarwar, S.; Ashraf, Z.; Imran, M.; Khan, T.; Anwar, T.; Li, S., Succinamide derivatives ameliorate neuroinflammation and oxidative stress in scopolamine-induced neurodegeneration. Biomolecules 2020, 10 (3), 443.

10.        Javed, T.; Ullah, H.; Rashid, S. A.; Khan, M. T.; Malik, N. S.; Sheikh, A. S.; Gohar, N.; Rashid, A.; Riaz, A.; ur Rehman, M. A., SYNTHESIS, CHARACTERIZATION, AND BIOLOGICAL EVALUATION OF 3-BROMO ISOQUINOLINE DERIVATIVES: POTENTIAL LEAD MOLECULES FOR ANALGESIC AND ANTI-INFLAMMATORY AGENTS. Journal of Population Therapeutics and Clinical Pharmacology 2024, 31 (3), 886-907.

11.        Khan, H.; Mahmood, A.; Maheen, S.; Sarfraz, R. M.; Yuchi, A.; Shamim, A.; Akhtar, M.; Ahsan, H.; Khan, M. T.; Khalil, M., Formulation and in vitro evaluation of novel antidiabetic orodispersible tablets using kyron-T134 and crosscaramellose sodium as superdisintegrants. Lat Am J Pharm 2014, 4, 631-639.

12.        Khan, M. I.; Amin, A.; Khan, M. T.; Jabeen, H.; Chaudhry, S. R., Unveiling the hidden hazards of smog: health implications and antibiotic resistance in perspective. Aerobiologia 2024, 40 (3), 353-372.

13.        Khan, M. T.; Nadeem, H.; Khan, A. u.; Abbas, M.; Arif, M.; Malik, N. S.; Malik, Z.; Javed, I., Amino acid conjugates of 2‐mercaptobenzimidazole provide better anti‐inflammatory pharmacology and improved toxicity profile. Drug Development Research 2020, 81 (8), 1057-1072.

14.        Khan, M. T.; Nadeem, H.; Sheikh, A. S.; Malik, N. S.; Rizwan, M.; Imran, M.; Javed, I.; Munir, M. U.; Khan, A.-u.; Syed, A., Amino acid derivatives of 2-Mercaptobenzimidazoles suppress cytokines at the site of inflammation and block gastric H + /K + ATPase. Pakistan Journal of Pharmaceutical Sciences 2021, 34 (3(Suppl)), 1157-1163.

15.        Khan, M. T.; Razi, M. T.; Jan, S. U.; Mukhtiar, M.; Gul, R.; Hussain, A.; Rabbani, I., Synthesis, characterization and antihypertensive activity of 2-phenyl substituted benzimidazoles. Pak. J. Pharm. Sci 2018, 31 (3), 1067-1074.

16.        Khan, M. T.; Zulfiqar, T.; Jabeen, H.; Gohar, N.; Javed, T.; Munawar, Z.; Hassan, M. J.; Rasheed, M. M.; Amir, E., Benzimidazole Derivatives in Drug Design: Structure-Activity Relationships and Therapeutic Potential: A Review. Journal of Pharma and Biomedics 2024, 2 (2), 71-80.

17.        Mahmood, A.; Erum, A.; Tulain, U. R.; Shafiq, S.; Malik, N. S.; Sidra; Khan, M. T.; Alqahtani, M. S., Aloe vera-based polymeric network: a promising approach for sustained drug delivery, development, characterization, and in vitro evaluation. Gels 2023, 9 (6), 474.

18.        Majid, M.; Farhan, A.; Baig, M. W.; Khan, M. T.; Kamal, Y.; Hassan, S. S. u.; Bungau, S.; Haq, I.-u., Ameliorative effect of structurally divergent oleanane triterpenoid, 3-epifriedelinol from Ipomoea batatas against BPA-induced gonadotoxicity by targeting PARP and NF-κB signaling in rats. Molecules 2022, 28 (1), 290.

19.        Malik, M. N. H.; Tahir, M. N.; Alsahli, T. G.; Tusher, M. M. H.; Alzarea, S. I.; Alsuwayt, B.; Jahan, S.; Gomaa, H. A.; Shaker, M. E.; Ali, M., Geraniol suppresses oxidative stress, inflammation, and interstitial collagenase to protect against inflammatory arthritis. ACS omega 2023, 8 (40), 37128-37139.

20.        Malik, N. S.; Ahmad, M.; Alqahtani, M. S.; Mahmood, A.; Barkat, K.; Khan, M. T.; Tulain, U. R.; Rashid, A., β-cyclodextrin chitosan-based hydrogels with tunable pH-responsive properties for controlled release of acyclovir: design, characterization, safety, and pharmacokinetic evaluation. Drug Delivery 2021, 28 (1), 1093-1108.

21.        Mohsin Alvi, A.; Tariq Al Kury, L.; Umar Ijaz, M.; Ali Shah, F.; Tariq Khan, M.; Sadiq Sheikh, A.; Nadeem, H.; Khan, A.-u.; Zeb, A.; Li, S., Post-treatment of synthetic polyphenolic 1, 3, 4 oxadiazole compound A3, attenuated ischemic stroke-induced neuroinflammation and neurodegeneration. Biomolecules 2020, 10 (6), 816.

22.        Muddassir, M.; Batool, A.; Alam, M.; Miana, G. A.; Altaf, R.; Alghamdi, S.; Almehmadi, M.; Abdulaziz, O.; Alsaiari, A. A.; Sahibzada, M. U. K., Evaluation of in vitro, in silico antidiabetic and antioxidant potential of bioactivity based isolated “Pakistanine” from Berberis baluchistanica. Arabian Journal of Chemistry 2022, 15 (11), 104221.

23.        Munawar, Z.; Nadeem, H.; Ahmad, S.; Begum, M. Y.; Siddiqua, A.; Rao, H.; Khan, M. T., Synthesis, characterization, and molecular docking studies of novel hippuric acid anhydrides as potential antiurolithic, analgesic and free radical scavenging agents. Journal of Saudi Chemical Society 2024, 28 (5), 101902.

24.        Razi, M. T.; Javed, I.; Choudry, M. Z.; Khan, M. T.; Mukhtar, N., Effect of ketoprofen on lactic dehydrogenase from human platelets. Advances in Clinical and Experimental Medicine 2014, 23 (3), 377-380.

25.        Shabbir, R.; Hayat Malik, M. N.; Zaib, M.; Alamgeer; Jahan, S.; Khan, M. T., Amino acid conjugates of 2-mercaptobenzimidazole ameliorates high-fat diet-induced hyperlipidemia in rats via attenuation of HMGCR, APOB, and PCSK9. ACS omega 2022, 7 (44), 40502-40511.

26.        Shaukat, B.; Mehmood, M. H.; Murtaza, B.; Javaid, F.; Khan, M. T.; Farrukh, M.; Rana, R.; Shahzad, M., Ajuga bracteosa exerts antihypertensive activity in l-NAME-induced hypertension possibly through modulation of oxidative stress, proinflammatory cytokines, and the nitric oxide/cyclic guanosine monophosphate pathway. ACS omega 2022, 7 (37), 33307-33319.

27.        Sheikh, A. S.; Altaf, R.; Nadeem, H.; Khan, M. T.; Murtaza, B., Formation of morpholine-acetamide derivatives as potent anti-tumor drug candidates: Pharmacological evaluation and molecular docking studies. Heliyon 2023, 9 (11).

28.        Sheikh, A. S.; Nadeem, H.; Alam, M.; Khan, M. T.; Khusro, A.; Syed, A.; Malik, N. S.; Aslam, A. M.; Aman, A.; Sahibzada, M. U., Synthesis, Molecular Docking and Pharmacological Investigation of Heterocyclic Amine Derivatives as Potential Anticancer Agents. 2021.

29.        Sheikh, A. S.; Nadeem, H.; Khan, M. T.; Saeed, A.; Murtaza, B., Antibacterial potential of novel acetamide derivatives of 2-mercaptobenzothiazole: Synthesis and docking studies. ACS omega 2023, 8 (11), 9785-9796.

30.        Sikander, M.; Tulain, U. R.; Malik, N. S.; Mahmood, A.; Alqahtani, M. S.; Erum, A.; Khan, M. T., An Approach to Enhance the Solubility of an Atypical Antipsychotic Drug, Aripiprazole: Design, Characterization, and Evaluation of Arabinoxylan-Based Nanoparticles. Nanotechnology, Science and Applications 2025, 115-137.

31.        Sikander, M.; Tulain, U. R.; Malik, N. S.; Mahmood, A.; Erum, A.; Khan, M. T.; Safdar, A., In Vitro/In Vivo Assessment of Aripiprazole-Loaded Thiolated Arabinoxylan based Nanoparticles: An Innovative Approach for Targeted Schizophrenia Therapy. bioRxiv 2024, 2024.02. 13.580125.

32.        Zubair, A. M.; Malik, M. N. H.; Younis, W.; Malik, M. A. H.; Jahan, S.; Ahmed, I.; Yuchi, A.; Mushtaq, M. N.; Tahir, R.; Sarwar, M. B., Novel acetamide derivatives of 2-aminobenzimidazole prevent inflammatory arthritis in rats via suppression of pro-inflammatory mediators. Inflammopharmacology 2022, 30 (3), 1005-1019.

33.        Zulfiqar, T.; Tipu, M. K.; Khan, M. T.; Abouzied, A. S.; Al Kazman, B. S.; Alshammari, S. O.; Alshammari, Q. A.; Alshammari, A.; Malik, M. N. H.; Ali, A., Comprehensive safety assessment and therapeutic potential of Pediococcus acidilactici NMCC-B in attenuating arthritis progression. PLoS One 2025, 20 (5), e0324060.