Millat College

Dr. Md. Mushtaque

Department of Chemistry
Mobile No.+91-9891717992/8766335137
Guest Teacher

Research Interest:

My area of research lies in the domain of medicinal chemistry, computational studies (Density functional theory, molecular docking, Homology modeling, MD-simualtion) and Optoelelctronics. I develop novel heterocyclic compounds and evaluate their biological activities (anti-cancer and anti-protozoal activity). I also exploit Opioid molecules as anti- depression agent and their application in transdermal drug delivery.


  • Ph.D.(Organic Chemistry) ,Jamia Millia Islamia,2014
  • M.Sc. (Organic Chemistry) 2006-08
  • B.Sc.(Hons) Chemistry Jamia Millia Islamia 2003-06

Fellowships & Award

  • Seal of Excellence by European Commission under MSCA-PF (2021) 2022
  • Indian Overseas Postdoctoral Fellowship 2016-17
  • Science and Engineering Research Board (SERB), Govt. of India.
  • UGC-BSR Meritorious Fellowship 2012-13
  • University Grant Commission, Govt. of India.
  • UGC-PhD Fellowship 2008-12
  • University Grant Commission, Govt. of India.

Research Experience

  • Postdoctriate: Department of Pharmacy and Pharmacology, University of Bath, Claverton, Down, Bath, BA2 A7Y, United Kingdom; Advisor: Professor Stephen Husbands 12.12.2016 to 12.12.2017
  • Research topic: Synthesis of naltrexone derivatives and their transdermal drug delivery application
  • Advisor: Professor Stephen Husbands
  • Ph.D: Jamia Millia Islamia, Central University, New Delhi, 110025, India
  • Advisor: Prof. Amir Azam 2008-14

Thesis title: Development of Heterocyclic Compounds and Their Anti-protozoal activity.

Professional Experience

Assistant Professor: Department of Chemistry, Al-Falah University, Dhauj, Faridabad, Haryana, 121004, India. 26 02.2014 to 12.07.2022

Subjects Taught: B.Tech. & Diploma: Applied Chemistry
  • B.Sc. Years I, II & III: Organic Chemistry & Practical classes
  • M.Sc. Semester I & II: Spectroscopy; Natural Product & Reaction and Mechanism
  • M. Sc.: Semester III: Photochemistry
Counselor: Worked as a counselor at IGNOU center at Jamia Millia Islamia 02.2014 to 31.05.2022
M.Sc. Thesis Supervised: 04 (Supervised 04 students for their M.Sc. thesis.)
  • Mr. Rouf Ali Dar: Synthesis, Characterization of 3-{3-[(1E)-3-(4-chlorophenyl)-3- oxoprop- 1-en-1- yl]-1H indol-1-yl} propanenitrile (Chalcone) and its quantum chemical studies.
  • Ms. Shyama Saifi: Synthesis, Characterization, Pharmacological and Quantum Chemical Studies of Chalcone having Pyrazole derivative.
  • Mr. Sakib: Synthesis, Characterization and Quantum Chemical Studies of dihydropyrimidine derivatives
  • Mr. Nasir Masoodi: Synthesis, Characterization and quantum chemical studies of 3- [(5Z)-5-{[3-(3-nitrophenyl)-1-phenyl-1H-Pyrazol-4-yl]methylidene}-2,4-dioxo-1,3- Thiazolidin-3-yl]propanenitrile

Editorial Services

  • European Journal of Medicinal Chemistry
  • Bioorganic & Medicinal Chemistry
  • Bioorganic & Medicinal Chemistry Letters
  • Journal of Molecular Structure
  • Journal of Molecular Liquids
  • Current Medicinal Chemistry
  • Journal of Medicinal chemistry Research
  • Journal of Chemistry Select
  • Journal of Natural Product
  • Journal of molecules (MDPI)

Reviewer for the following journals:

Peer Reviewed Publication (*corresponding Author)

Cumulative impact factor: 58.06 Total citations = 312, h-index: 8 ,i10-index: 6;);
  1. Ahmed A. Al Otaibi, Sinad L. Alshammari, Abdulmohsen Khalaf Dhahi Alsukaibi, Azfar Jamal, Saravanan Rajendrasozhan, Khalaf M. Alenezi, Afzal Hussain, Imran Khan, Md. Mushtaque & Ashanul Haque; Synthesis, anticancer activity, molecular docking and molecular dynamics studies of some pyrazole–chalcone hybrids, Journal of Biomolecular Structure And Dynamics (Published online: 18 Apr 2023 ); ISSN- 1538-0254
  2. Md. Mushtaque, Fernando Avecilla, Abdulmohsen Khalaf Dhahi Alsukaibi, Subash. S. Pingale, Kirtee M. Kamble, M. Moshahid A. Rizvi; Molecular structure and biological activities of 4-thiazolidinone derivatives: A combined theoretical and experimental, Phosphorus, Sulfur, and Silicon and the Related Elements 198(2023): 154-163;; ISSN- 10426507
  3. Ahmed A. Al Otaibi, Abdulmohsen Khalaf Dhahi Alsukaibi, Md. Ataur Rahman, Md. Mushtaque and Ashanul Haque*, From Waste to Schiff Base: Upcycling of Aminolysed Poly(ethylene terephthalate) Product. Polymers 2022, 14, 1861; ISSN- 2073-4360
  4. Azhar U. Khan, Hanuman S. Dagur, Masudulla Khan, Nazia Malik, Mahboob Alam, Md Mushtaque*. Therapeutic role of flavonoids and flavones in cancer prevention: Current trends and future perspectives European Journal of Medicinal Chemistry Reports 3 (2021) 100010 :; ISSN-2772-4174
  5. Musherah M. Alshammari, Raoudha Soury, Khalaf M. Alenezi, Md. Mushtque*, M. Moshahid Alam Rizvi & Ashanul Haque; Synthesis, characterization, anticancer and in silico studies of a pyrazole-tethered thiazolidine-2,4-dione derivative; (Accepted, 2021); Journal of Biomolecular Structure and Dynamics; (I.F = 3.39); ISSN-1538-0254
  6. Md Mushtaque, Fernando Avecilla, Irfan Ahmad, Ahmed M. Alharbi, Parvez Khan, Shahzaib Ahamad, Md Imtaiyaz Hassan, 5-Fluorouracil (5-FU)-based Aza-Michael Addition Product: A Selective Carbonic Anhydrase IX Inhibitor, Journal of Molecular Structure 1231(2021)129977; (I.F = 3.19); ISSN-0022-2860
  7. Syed Imran Hassan, Ashanul Haque, Yassin A. jeilani, Rashid Ilmi, Md Serajul Haque Faizi, Imran Khan, Md. Mushtaque, Thioxanthone-based organic probe with aggregation enhanced emission and exceptional mineral acids sensing abilities, Journal of Molecular Structure 1224(2020)129004, (I.F = 3.19) ; ISSN-0022-2860
  8. Aftab Alam, Mohd Faizan Siddiqui, Nikhat Imam, Rafat Ali, Md. Mushtaque, Romana Ishrat Covid-19: current knowledge, disease potential, prevention and clinical advances, Turkish Journal of Biology 44(2020) 121-131. https:// doi: 10.3906/biy- 2005-29 (I.F = 0.76);ISSN-13000152.
  9. Md. Mushtaque*, Fernando Avecilla, Ashanul Haque Zafar Yab, M. Moshahid Alam Rizvi, Mohd Shahid Khan, Synthesis, structural and biological activity of N-substituted 2-methyl-4-/5-nitroimidazole derivatives, journal of Molecular structure 1185(2019)440-449; (I.F= 3.19); ISSN-0022-2860
  10. Md. Mushtaque*, Fernando Avecilla, Zubair Bin Hafeez, Mohammad Moshahid A. Rizvi, Synthesis, Characterization, Molecular Docking, and Anticancer Evaluation of 4‐Thiazolidinone Analogues, Journal of heterocyclic chemistry 56 (2019) 1794-1805 (I.F = 2.19)
  11. Md. Mushtaque*, Fernando Avecilla, Subhash S. Pingale, Kirtee M. Kamble, Zafaryab, Mohammad Mushahid Alam Rizvi. Computational and experimental studies of 4- thiazolidinone-cyclopropylhybrid, Journal of Molecular Liquids. 241(2017) 912-921.;(I.F = 6.16) ; ISSN-0167-7322
  12. Md. Mushtaque* Fernando Avecilla, Zubair Bin Hafeez, Meriyam Jahan, Md. Shahzad Khan, M. Moshahid A. Rizvi, Mohd. Shahid Khan, Anurag Srivastava, Anwesha Mallik, Saurabh Verma. Synthesis, stereochemistry determination, pharmacological studies and quantum chemical analyses of bisthiazolidinone derivative, Journal of Molecular Structure, 1127, (2017), 99-113.; (I.F = 3.19); ISSN-0022-2860
  13. Md. Mushtaque*, Fernando Avecilla, Md. Shahzad Khan, Zubair Bin Hafeez, Mohd. Shahid Khan, M. Moshahid A. Rizvi, Synthesis, characterization, cytotoxicity, cell cycle analysis of 3-(4-methoxyphenyl)-1- (pyridin-2-ylmethyl)thiourea and quantum chemical analyses, Journal ofMolecularStructure.,1141(2017)119-132 = 3.19); ISSN-0022-2860
  14. Md. Mushtaque*, Fernando Avecilla, Ashanul Haque, Ahmad Perwez, Md. Shahzad Khan, M. Moshahid A. Rizvi, Experimental and theoretical studies of a pyrazole- thiazolidin-2,4-di-one hybrid, Journal of Molecular Structure 1141 (2017) 417-427. (I.F=3.1); ISSN-0022-2860
  15. Azhar U. Khan, Fernando Avecillia, Nazia Malik, Md. Shahzad Khan, Mohd. Shahid Khan, Md. Mushtaque* Theoretical and experimental studies of 3β-acetoxy-5α- cholestan-6-one oxime, Journal Molecular Structure. 1122, (2016) 100-110.; (I.F = 3.1) : ; ISSN-0022-2860
  16. Md. Mushtaque*, Meriyam Jahan, Murtaza Ali, Md. Shahzad Khan, Mohd. Shahid Khan, Preeti Sahay, Ashwani Kesarwani. Synthesis, Characterization, Molecular docking, DNA binding and cytotoxicit, and Quantum chemical studies of 1-(4- methoxyphenyl)-3(pyridine-3-ylmethyl)thiourea, Journal of Molecular Structure, 1122, (2016)164-174. 3.19) ; ISSN-0022-2860
  17. Md. Mushtaque*, Shahzaib Ahamad, Meriyam Jahan, Kakul Hussain, Mohd. Shahid Khan. Azole-based Compounds as Antiamoebic Agents: A perspective using Theoretical Calculations, RSC Adv., 2016, 6, 815. https://doi: 10.1039/C5RA20552B (I.F= 3.36); ISSN-2046-2069
  18. Waseem A. Wani, Umair Baig, Sheikh Shreaz, Rayees Ahmad Shiekh, Prince Firdous Iqbal, Ehtesham Jameel, Akil Ahmad, Siti Hamidah Mohd-Setapar, Md. Mushtaque and Lee Ting Hun, Recent advances in iron complexes as potential anticancer agents, New Journal of Chemistry. 40 (2016), 1063-1090; https://doi:10.1039/C5NJ01449B (I.F = 3.5); ISSN-1369-9261
  19. Md. Mushtaque*, Shahjahan, Reemergence of Chloroquine (CQ) analogues as Multi- targeting Antimalarial Agents: A Review, European Journal of Medicinal Chemistry. 90(2015)280; (I.F= 7.01) 0223-5234
  20. Md. Shahzad Khan, Md. Mushtaque* Mohd. Shahid Khan, Anurag Srivastava, KakulHasain, Quantum chemical studies for some thiazolidinone derivatives using density functional theory, Adv. Sci. Lett., 21, 2015, 2717-2726.:; (I.F = 0.24)
  21. Md. Mushtaque, Fernando Avecilla, Amir Azam, Synthesis, characterization and Structure optimization of a series of Thiazolidinone derivatives as Entamoeba histolytica Inhibitors. European Journal of Medicinal Chemistry; 55(2012)439-448; (I.F = 7.01); ISSN-0223-5234

Books/ Book Chapters Published:

  • i. Khalid Fakhri, Armiya Sultan, Md Mushtaque, Mohammad Hasan, Sana Nafees, Zubair Hafeez, Md Zafaryab, Md Rizwanullah, Deepti Sharma, Farhad Bano, Waleed AlMalki, Farhan Ahmad, Moshahid Rizvi; Obstructions in Nanoparticles Conveyance, Nano- Drug Retention, and EPR Effect in Cancer Therapies(ChapterNo.26); Hand Book of Research on Advancements in cancer therapeutics(2020); DOI: 10.4018/978-1-7998-6530-8 ;
  • ii. In the Co-authorship” Edited book Chapter on NMR-based Metabolomics and Hyphenated NMR Techniques, Chapter 15. Under Process in CRC press Taylor and Francis Group, (Under consideration).
  • iii. In the Co-authorship” Edited book Chapter on Chromatography in Phytochemistry and analytical techniques in elemental profiling. Chapter14 under Process in CRC press Taylor and Francis Group, (Under consideration).

Oral/Poster Presentation in conference/Workshop

  1. Oral presentation on “Synthesis, Characterization, Anti-cancer activity and Quantum Chemical Studies of Bisthiazolidinone derivatives” at the 3rd international E– Workshop/Conference on Computational condensed Matter Physics and materials Science (IWCCMP-2015) 18-22 Octat Gwalior.
  2. Poster presentation at International Conference on Chemistry Frontiers and Challenges-2013, Department of Chemistry, Aligarh Muslim University, Aligarh (U.P), India.
  3. Poster presentation at National Conference on New vistas in Chemistry [(UGCSAP)(DRS-1)] March 2-3, 2012, Department of Chemistry, Aligarh Muslim University.
  4. National Conference “Advance Trends in Nanoscience and Nanotechnology (ATNN- 2013)” conducted by Department of Applied Sciences and Humanities, Jamia Millia Islamia, New Delhi on 25th February 2013.
  5. One-Day National Seminar on “Recent Advances in Chemistry-2012” at Department of Chemistry, Jamia Millia Islamia, New Delhi, India.
  6. One-Day National Seminar on “Chemistry in our Lives-Issues and Challenges” on the occasion of International year of Chemistry at Department of Chemistry (March, 22, 2011), Jamia Millia Islamia, New Delhi, India.
  7. Workshop on “Chromatographic Techniques” held on Sep. 10, 2007 at the Department of Chemistry, Jamia Millia Islamia, New Delhi, India.

Academic Referees

  1. Prof. Stephen Husbands Dept. of Pharmacy and Pharmacology University of Bath Claverton Down, Bath2 7AY UK Email Id:
  2. Prof. Nasimul Hoda Department of Chemistry Jamia Millia Islamia, New Delhi, India Email:
Scroll to Top