Assistant Professor Dr. Anand Gaurav

Head of Research | Department of Pharmaceutical Chemistry

Academic Qualifications

PhD (Pharmaceutical Sciences)
M.Pharm. (Pharmaceutical Chemistry)
M.Tech. Information Technology (Bioinformatics)
Postgraduate Diploma in Tertiary Teaching
Bachelor of Pharmacy (Hons)

Areas of Interest
Design and synthesis of compounds of biological interest.
In silico design of phosphodiesterase inhibitors
Professional Bodies

Pharmacy Council of India

American Chemical Society (Division of Medicinal Chemistry)


Research project




Identification of dual Inhibitors of PDE1B and PDE10A using Ligand and Structure – Based Drug Design Approach

Pioneer Scientist Incentive Fund


Faculty of Science, Universiti Malaya


Discovery of Natural Product Inhibitors of Phosphodiesterase 10A using a Multistep Virtual Screening Protocol

Pioneer Scientist Incentive Fund




Development and Evaluation of a Novel Direct Compressible Xylitol-Starch Base Co-processed Adjuvant for Orally Disintegrating Tablet Application (PI)

Pioneer Scientist Incentive Fund


Faculty of Pharmacy, IIUM

Faculty of Pharmacy, CUCMS




PhD students (Current)

  • Mayasah Al-Nema


Master students (Completed)

  • Mayasah Al-Nema (2018)
  • Ming Xing (2016)
  • Khan Ahmed Bazargan (2012)
  • Pravin Kumar Singh (2011)
  • Punit Tripathi (2011)
  • Vikrant Verma (2010)
  • Smita Singh (2010)
  • Rashi Jaiswal (2009)

Undergraduate students (Current)

  • Tan Xuan Hui
  • Lim Jia Le


Undergraduate students (Completed)

  • Tang Woei Shy (2019)
  • Lim Chiew Fei (2018)
  • Goh Yen Joe (2018)
  • Foong Xie Wei (2018)
  • Yau Xin Yi (2017)
  • Por Choo Shiuan (2016)


  1. Lee V.S.; Gaurav A. Synthesis of 2-(2-Oxo-2H-chromen-4-yl)acetamides as Potent Acetylcholinesterase Inhibitors and Molecular Insights into Binding Interactions. Archiv der Pharmazie. 352, 1800310, 2019, DOI: 10.1002/ardp.201800310. [Impact Factor: 2.145]
  2. Mayasah Al-Nema, Anand Gaurav. Protein-Protein Interactions of Phosphodiesterases. Current Topics in Medicinal Chemistry. 2019, doi: 10.2174/1568026619666190401113803. [Impact Factor: 3.374]
  3. Yau Xin Yi, Anand Gaurav, Gabriel A Akowuah. Docking Studies of Curcumin and Analogues with Various Phosphodiesterase 4 Subtypes. Current Drug Discovery Technologies. 2020, 17, 248-260, DOI: 10.2174/1570163815666181017091655.
  4. Mayasah Al-Nema, Anand Gaurav, Gabriel A Akowuah. Discovery of Natural Product Inhibitors of Phosphodiesterase 10A as Novel Therapeutic Drug for Schizophrenia Using  Multistep Virtual Screening. Computational Biology and Chemistry. 2018, 77, 52-63. [Impact Factor: 1.412]
  5. Nidhi Kala, Anand Gaurav, Vertika Gautam. Syntheses, characterization, and evaluation of novel non-carboxylic analogues of Gemfibrozil: a bioisosteric approach. Journal of Chinese Pharmaceutical Sciences, 2017, 26(2), 95-105. [SJR Impact Factor: 0.35]
  6. Anand Gaurav, Vertika Gautam. Pharmacophore based virtual screening approach to identify selective PDE4B inhibitors. Iranian Journal of Pharmaceutical Research, 2017, In press. [Impact Factor: 1.372]
  7. Xing, M; Gautam, V; Akowuah, GA; Gaurav A. Structure based design of selective phosphodiesterase 4B inhibitors based on ginger phenolic compounds. Journal of Biomolecular Structure and Dynamics. 2016, DOI 10.1080/07391102.2016.1234417. [Impact Factor: 3.107]
  8. Anand Gaurav, Ranjit Singh. Pharmacophore modeling, 3DQSAR and docking based design of polysubstituted quinolines derivatives as inhibitors of phosphodiesterase 4, and preliminary evaluation of their anti-asthmatic potential. Medicinal Chemistry Research. 2014, 23(12), 5008-5030. [Impact Factor: 1.607]
  9. Anand Gaurav, Ranjit Singh. 3D QSAR Pharmacophore, CoMFA and CoMSIA based design and docking studies on phenyl alkyl ketones as inhibitors of phosphodiesterase 4. Medicinal Chemistry, 2012, 8, 5894-912. [Impact Factor: 2.631]
  10. Anand Gaurav, Vertika Gautam, Ranjit Singh. An overview on synthetic methodologies and biological activities of pyrazoloquinolines. Mini-Reviews in Medicinal Chemistry, 2010, 10, 1194-1210. [Impact Factor: 2.645]


  1. Identification of Selective Inhibitors of Phosphodiesterase 4B using Pharmacophore- Based Virtual Screening and Molecular Docking Approaches. International Conference on Drug Discovery and Translational Medicine 2018 (ICDDTM '18) “Seizing Opportunities and Addressing Challenges of Precision Medicine”. Putrajaya, Malaysia, 2018.
  2. Shared-Feature Pharmacophore Model of Phosphodiesterase10A Inhibitors. 13th Malaysian Pharmaceutical Society Scientific Conference 2017, Penang, Malaysia.
  3. 3D QSAR Studies of 2-Arylpyrimidines and S-Triazines as Selective PDE4B Inhibitors. International Conference of Translational Medicine and Health Sciences 2017. Semarang, Indonesia, 37, ISBN: 978-602-1679-97-5.
  4. Development and Characterization of Novel Xylitol-Starch-Crospovidone Base Co-processed Adjuvant for ODT Application. PharmED 2016, MSU, Kuala Lumpur, Malaysia.
  5. Computational Alanine Scanning Mutagenesis: Characterizing the hotspots of ILK-Ankyrin Repeat and PINCH1 Complex. 3rd International Conference on Computation for Science and Technology (ICCST-3), Bali, Indonesia, ISSN: 2352-538x, doi:10.2991/iccst-15.2015.17

Journal Reviewers

  1. Nature Scientific Reports
  2. Medicinal Chemistry Research
  3. Letters in Drug Design & Discovery
  4. OMICS: A Journal of Integrative Biology
  5. Biochemical Sciences
  6. PLOS Computational Biology
  8. Network Modeling Analysis in Health Informatics and Bioinformatics
  9. Cell Biochemistry and Biophysics

Networks and Collaborations on Research

  1. Collaborative research with University of Malaya.

Awards and Recognition

  1. Silver Award for Best Oral Presentation at 13th MPS-USM Pharmacy Scientific Conference, 3-5 November 2017, Penang, Malaysia.
  2. Qualified Graduate Aptitude Test in Engineering (GATE)-2003 with 99.32 Percentile. National level Test conducted by Indian Institute of Technology Madras.
  3. Qualified Graduate Aptitude Test in Engineering (GATE)-2005 with 99.51 Percentile. National level Test conducted by Indian Institute of Technology Bombay.
  4. Scholarship through Ministry of Human Resource and Development (MHRD) Govt of India and University Grants Commission, During M.Tech and M.Pharm. courses.
  5. External Examiner, SHIATS, India.
  6. External Examiner, Banasthali University, India.
  7. External Examiner Lincoln University College Malaysia.
  8. PhD Thesis Examiner, VIT University, Vellore, India.
  9. PhD Thesis Examiner, Banasthali University, India.
  10. Former member, Institutional Animal Ethical Committee and Board of Studies of Shobhit University, India.  
  11. Editor, “Pha℞macyConnect” official newsletter of Faculty of Pharmaceutical Sciences, UCSI University, Kuala Lumpur, Malaysia. (2019-Present)
  12. Editor, “New Dimensions” official newsletter of Shobhit University, Meerut, India, 2010-2012.

Editorial Board Member

EC Proteomics and Bioinformatics, Journal of Pharmaceutical, Chemical and Biological Sciences.