Associate 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
In silico design of phosphodiesterase inhibitors
In silico design of antivirals
Design and synthesis of compounds of biological interest.
Professional Bodies Membership

  • Pharmacy Council of India
  • American Chemical Society (Division of Medicinal Chemistry)
  • Malaysian Pharmacists Society


Research project




Gingerols and Shogaols: Investigations on the role of selective phosphodiesterase 4B inhibition in the respiratory anti-inflammatory activity without central side effects

Fundamental Research Grant Scheme (FRGS)

(Ref: FRGS/1/2021/SKK06/UCSI/02/4)

1. Faculty of Science, Universiti Malaya

2. KIET School of Pharmacy, Ghaziabad, India


Synergism and the Mechanism of Action of Luteolin Derivatives with QSAR analysis against Multidrug Resistant Bacteria

Fundamental Research Grant Scheme (FRGS)

(Ref: FRGS/1/2021/SKK0/UCSI/03/1)

Universiti Malaya


Antibacterial mechanism and synergistic study of 7-hydroxycoumarin derivatives: Structure-activity relationship, molecular docking studies against multi-drug resistance clinical strain bacteria

Research and Innovation Excellence Grant

(Ref: REIG-FPS-2020-057)

Universiti Malaya


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
  • Yap Chuan Sheng

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)

  • Eugene Ong Yi Feng

Undergraduate students (Completed)

  • Tan Xuan Hui (2020)
  • Lim Jia Le (2020)
  • 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. Mayasah Al-Nema, Anand Gaurav*, Vannajan Sanghiran Lee, Baskaran Gunasekaran, Ming Tatt Lee, Patrick Okechukwu. Identification of Dual Inhibitor of Phosphodiesterase 1B/10A using Structure-Based Drug Design Approach. Journal of Molecular Liquids, 2021,117485, DOI: 10.1016/j.molliq.2021.117485. [Impact factor: 6.165]
  2. Jiraporn Kara, Paptawan Suwanhom, Chatchai Wattanapiromsakul, Teerapat Nualnoi, Jindaporn Puripattanavong, Pasarat Khongkow, Vannajan Sanghiran Lee, Anand Gaurav, Luelak Lomlim. 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]
  3. Mayasah Al-Nema, Anand Gaurav*. Protein-Protein Interactions of Phosphodiesterases. Current Topics in Medicinal Chemistry. 2019, doi: 10.2174/1568026619666190401113803. [Impact Factor: 3.374]
  4. 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.
  5. 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]
  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. Ming Xing; Vertika Gautam; Gabriel Akyirem Akowuah; Anand Gaurav*. 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.  “Viral Polymerases of Coronaviruses: Structure, Function and Inhibitors” in “Viral Polymerases Structures, Functions and Roles as Antiviral Drug Targets” 1st Edition, ISBN 9780128154229, Academic Press, 271-300.
  2. “Advanced Applications of Gene Therapy in the Treatment of Hematologic Disorders” in “Frontiers in Clinical Drug Research – Hematology” Volume 4.  2020, 84-123, ISBN 978-981-14-6953-4, Bentham Science.
  3. "Computational Methods in Development of Phosphodiesterase Inhibitors" in "Quantitative Structure-activity Relationship", ISBN 978-953-51-5353-5, In Tech, Rijeka, Croatia.
  4.  “Recent advances in regulation of herbal drugs” in “Recent Advances in Clinical Trials”, 2017, 57-63. ISBN 978-93-85451-18-8.


  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. Heylion
  4. Journal of Molecular Liquids
  5. Future Medicinal Chemistry
  6. Letters in Drug Design & Discovery
  7. OMICS: A Journal of Integrative Biology
  8. Biochemical Sciences
  9. PLOS Computational Biology
  10. PLOS ONE
  11. Network Modeling Analysis in Health Informatics and Bioinformatics
  12. 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.

Other achievements

  1. Member of Advisory Board of 6th International Conference on Computation Science and Technology (ICCST) 2021, 29-31 Oct 2021, Chiang Mai, Thailand
  2. Visiting Lecturer at Anton de Kom Universiteit Suriname (AdeKUS), Paramaribo, Suriname, South America
  3. External Examiner, SHIATS, India.
  4. External Examiner, Banasthali University, India.
  5. External Examiner Lincoln University College Malaysia.
  6. PhD Thesis Examiner, VIT University, Vellore, India.
  7. PhD Thesis Examiner, Banasthali University, India.
  8. Former member, Institutional Animal Ethical Committee and Board of Studies of Shobhit University, India.  
  9. Editor, “Pha℞macyConnect” official newsletter of Faculty of Pharmaceutical Sciences, UCSI University, Kuala Lumpur, Malaysia. (2019-Present)
  10. 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.



Community Engagement

Volunteer in COVID-19 Vaccination Programme, UCSI University, Kuala Lumpur, Malaysia.