Dr. Anand Gaurav

Dr. Anand Gaurav obtained his bachelor’s degree from Sardar Patel University, India, master’s from Indian Institute of Information Technology-Allahabad and the Maharaja Sayajirao University of Baroda, and PhD from Shobhit University, India. He has also completed Post Graduate Diploma in Tertiary Teaching from UCSI University, Malaysia. Before joining UPES, he taught at various institutions in India, Malaysia, Maldives, and Suriname. Dr. Anand Gaurav’s area of research expertise is computer-aided drug design and synthesis of drugs and small molecules of biological interest. His current research focuses on the design of selective phosphodiesterase 4B inhibitors as anti-inflammatory agents and dual phosphodiesterase 1B/10A inhibitors as anti-schizophrenia drugs. He has obtained several research grants amounting to more than 300,000 Malaysian ringgits, including that from the ministry of higher education, Malaysia.

He has published over 50 publications in journals of international repute i.e., Journal of Molecular Liquids, Computers in Biology and Medicine, Pharmaceuticals, Journal of Biomolecular Structure and Dynamics, RSC Advances, PLOS One, etc. He is on the editorial board of international journals such as PLOS One and Frontiers in Drug Discovery. He serves as a reviewer for many journals of significant reputation, including Medicinal Chemistry Research, PLOS ONE, Journal of Molecular Modeling, Future Drugs, Cell Biochemistry and Biophysics etc.

Prior to joining UPES, Dr. Anand Gaurav was working as Associate Professor at UCSI University, Kuala Lumpur, Malaysia. During his stint at UCSI University, he has served at several positions like Head of Research, Head of Postgraduate and Research, and Vice Chair of the Student Welfare Committee. He has also been a Visiting Professor to Villa College, Maldives, and Anton De Kom Universiteit van Suriname, South America. 

Dr. Anand Gaurav’s research interests contribute to a deeper understanding of the role of phosphodiesterase (PDEs) inhibitors in treating CNS disorders and respiratory disorders via computational and experimental methods. He employs computational drug design tools such as QSAR, pharmacophore modeling, docking, virtual screening and molecular dynamics to understand better the inhibition of some variants of PDE, such as PDE1B, PDE10A, and PDE4 by small molecules. 

Dr. Anand Gaurav has used a combination of feedback from students and colleagues, self-reflection on his own experiences, and focus on continuing education via professional platforms and tertiary teaching program to define his teaching philosophy, i.e., “role of the instructor is to enable knowledge acquisition and foster mastery in the learners including augmenting understanding and encouraging curiosity in the learners. Thus, the goal includes enabling learners to become proficient in the basics of a topic, to develop the ability to think and shape opinion independently, and synthesize, evaluate, and effectively communicate information.”

Medicinal and Pharmaceutical Chemistry, Biochemistry for Pharmacy, Drug Discovery, and Development. 

Dr. Anand Gaurav has obtained several grants and awards, as listed below. 

• Gold Medal in Asian Youth Innovation Awards 2023 at Malaysia Technology Expo 2023 for the innovation “New Dual PDE1B and PDE10A Inhibitors Using Ligand-Based Pharmacophore Modelling and Virtual Screening”, Kuala Lumpur, Malaysia, 16-18 March 2023.
• Bronze Medal for the innovation “Natural Product Based PDE3/4 Inhibitor: A Potential Therapy for COPD” at PECIPTA 2022 International Conference and Exposition on Inventions by Institutions of Higher Learning, Universiti Malaysia Kelantan (UMK), Malaysia, 1-3 November 2022.
• Silver Prize for the innovation “Natural Product Based PDE3/4 Inhibitor: A Potential Therapy for COPD” at Malaysian Technology Expo Sustainable Development Goals International Innovation Awards 2022, Kuala Lumpur, Malaysia, 17-21 October 2022.
• Silver Prize for the innovation “Natural Product Based PDE3/4 Inhibitor: A Potential Therapy for COPD” at 32nd International Invention Innovation and Technology Exhibition 2021, Kuala Lumpur Convention Centre, Kuala Lumpur, Malaysia, 13-14 December 2021.
• Merit Award for the innovation “A Dual Inhibitor of PDE1B/10A as Lead Compound for Treatment of Schizophrenia” at Malaysia Technology Expo 2021, Sustainable Development Goals International Innovation Awards 2021, 25-29 October 2021.
• Silver Award for Best Oral Presentation at 13th MPS-USM Pharmacy Scientific Conference, 3-5 November 2017, Penang, Malaysia.
• Qualified Graduate Aptitude Test in Engineering (GATE)-2003 with 99.32 Percentile. National level Test conducted by Indian Institute of Technology Madras.
• Qualified Graduate Aptitude Test in Engineering (GATE)-2005 with 99.51 Percentile. National level Test conducted by Indian Institute of Technology Bombay.
• Scholarship through Ministry of Human Resource and Development (MHRD) Govt of India and University Grants Commission, During M.Tech and M.Pharm. courses.

Grants

• Fundamental Research Grant Scheme (FRGS) grant worth RM 139,700 from Ministry of Higher Education, Malaysia as Principal Investigator for the project titled “Gingerols and Shogaols: Investigations on the role of selective phosphodiesterase 4B inhibition in the respiratory anti-inflammatory activity without central side effects”. (FRGS/1/2021/SKK06/UCSI/02/4) in Phase 1, 2021.
• Fundamental Research Grant Scheme (FRGS) grant worth RM 94,440 from Ministry of Higher Education, Malaysia as Co-Investigator for the project titled “Synergism and the Mechanism of Action of Luteolin Derivatives with QSAR analysis against Multidrug Resistant Bacteria”. (FRGS/1/2021/SKK0/UCSI/03/1) in Phase 1, 2021.
• Research and Innovation Excellence Grant worth RM 40,500 from Centre of Excellence in Research, Value Innovation and Entrepreneurship (CERVIE) as Principal Investigator for the project titled “Design and Synthesis of Andrographolide Derivatives and their in vitro analysis of Acetycholinesterase (AChE) enzyme inhibition” (Project code: REIG-FPS-2020-051) in 2020.
• Research and Innovation Excellence Grant worth RM 45,000 from Centre of Excellence in Research, Value Innovation and Entrepreneurship (CERVIE) as co-investigator for the project titled “Antibacterial mechanism and synergistic study of 7-hydroxycoumarin derivatives: Structure-activity relationship, molecular docking studies against multi-drug resistance clinical strain bacteria” (Project code: REIG-FPS-2020-057) in 2020.
• Pioneer Scientist Incentive Fund worth RM 50,000 from Centre of Excellence in Research, Value Innovation and Entrepreneurship (CERVIE) as principal investigator for the project titled “Identification of dual inhibitors of PDE1B and PDE10A using ligand and structure – based drug design approach”. (Project code: Proj-2019-in-FPS-018) in 2019.
• Pioneer Scientist Incentive Fund worth RM 18,000 from Centre of Excellence in Research, Value Innovation and Entrepreneurship (CERVIE) as principal investigator for the project titled “Discovery of natural product inhibitors of phosphodiesterase 10A using a multistep virtual screening protocol”. (Project code: Proj-in-FPS-011) in 2017.
• Pioneer Scientist Incentive Fund worth RM 24,000 from Centre of Excellence in Research, Value Innovation and Entrepreneurship (CERVIE) as principal investigator for the project titled “Development and evaluation of a novel direct compressible xylitol-starch base coprocessed adjuvant for orally disintegrating tablet application”. (Project code: Proj-in-FPS007) in 2016.
• Conference grant worth RM 1990 by Centre of Excellence in Research, Value Innovation and Entrepreneurship (CERVIE) for attending AFOBMCIS 2022, at Langkawi, Malaysia, during 18-21 September 2022. (Grant code: CONF-NATN-FPS-91).
• Conference grant worth RM 800 by Centre of Excellence in Research, Value Innovation and Entrepreneurship (CERVIE) for attending Asian Federation of Medicinal Chemistry 13th International Symposium (AIMECS 2021) at Tokyo Japan, during 29/November – 02 December 2021. (Grant code: CONF-INT-FPS-112).
• Conference grant worth RM 9,750 by Centre of Excellence in Research, Value Innovation and Entrepreneurship (CERVIE) for attending Asian Federation of Medicinal Chemistry 12th International Symposium (AIMECS 2019) at Istanbul, Turkey, during 8-11 September 2019. (Grant code: CONF-INT-FPS-53).
• Conference grant worth RM 3,025 by Centre of Excellence in Research, Value Innovation and Entrepreneurship (CERVIE) for attending International Conference on Translational Medicine and Health Sciences (ICTMHS) 2017 at Semarang, Indonesia, during 27-28 October 2017. (Grant code: CONF-INT-FPS-44) Scholarly Activities: selected publications
• 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. 2017, 35(13), 2910-2924 10.1080/07391102.2016.1234417. [Impact Factor: 5.235, Scopus Q2, JCR Q1]
• 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. 10.2174/13895575110091194 [Impact Factor: 3.737, Scopus Q2, JCR: Q2]
• Patrick Nwabueze Okechukwu, Mridula Sharma, Abbirami Balachandran, Anand Gaurav, Anis Najwa Abdul Rani, Beata Morak M?odawska, Ma?gorzata Jele?, Charlie A Lavilla, Merell P Billacura. Comparative studies of Palmatine with Metformin and Glimepiryd on the Modulation of Insulin Dependent Signalling Pathway In Vitro, In Vivo & Ex Vivo. Pharmaceuticals, 2022, 15 (11), 1317. 10.3390/ph15111317 [Impact Factor: 5.215, Scopus Q1, JCR Q1]
• 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. 2019, 352 (7). 10.1002/ardp.201800310. [Impact Factor: 4.613, Scopus Q2, JCR Q2]

• M Al-Nema, A Gaurav, VS Lee. Designing of 2, 3-dihydrobenzofuran derivatives as inhibitors of PDE1B using pharmacophore screening, ensemble docking and molecular dynamics approach. Computers in Biology and Medicine 159, 106869 [Impact Factor: 6.698, Scopus Q1, JCR: Q1] 10.1016/j.compbiomed.2023.106869
• M Al-Nema, A Gaurav, MT Lee, P Okechukwu, P Nimmanpipug, VS Lee. Evaluation of the acute oral toxicity and antipsychotic activity of a dual inhibitor of PDE1B and PDE10A in rat model of schizophrenia. PloS one 17 (12), e0278216. 10.1371/journal.pone.0278216 [Impact Factor: 3.752, Scopus Q1, JCR: Q2]
• Anand Gaurav*, Neetu Agrawal, Mayasah Al-Nema and Vertika Gautam. Computational approaches in discovery and development of therapeutic and prophylactic agents for viral diseases. Current Topics in Medicinal Chemistry. 2022, 22(26), 2190-2206. 10.2174/1568026623666221019110334 [Impact Factor: 3.570, Scopus Q2, JCR: Q3]
• Vertika Gautam, Anand Gaurav *, Vaishali Patil*, Vannajan Sanghiran Lee. Artificial Intelligence and Machine Learning Approaches in Structure and Ligand Based Discovery of Drugs Affecting Central Nervous System. Molecular Diversity, 2022. 10.1007/s11030-022-10489-3 [Impact factor: 3.364, JCR Q2]
• Mayasah Al-Nema, Anand Gaurav*, Vannajan Sanghiran Lee, Baskaran Gunasekaran, Ming Tatt Lee, Patrick Okechukwu. Structure-Based Discovery and Bio-Evaluation of A cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one as Phosphodiesterase 10A Inhibitor. RSC Advances, 2022, 12, 1576-1591. 10.1039/D1RA07649C [Impact factor: 4.036, Scopus Q1, JCR Q2 ]
• 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, 342, 117485, 10.1016/j.molliq.2021.117485. [Impact factor: 6.633, Scopus Q1, JCR Q1]
• Mayasah Al-Nema, Anand Gaurav*, Vannajan Sanghiran Lee. Docking based screening and molecular dynamics simulations to identify potential selective PDE4B inhibitor. Heliyon, 2020, 6 (e04856). 10.1016/j.heliyon.2020.e04856. [Impact Factor: 3.776, Scopus Q1, JCR Q2]
• 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. 2019, 352 (7). 10.1002/ardp.201800310. [Impact Factor: 4.613, Scopus Q2, JCR Q2]
• 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. 10.1016/j.compbiolchem.2018.09.001. [Impact Factor: 3.737, Scopus Q3, JCR Q2]
• 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. 2017, 35(13), 2910-2924 10.1080/07391102.2016.1234417. [Impact Factor: 5.235, Scopus Q2, JCR Q1]
• Małgorzata Jeleń, Pheony Ting Chin Ying, Yoo Jia Hao, Abbirami Balachandran, Kirthani Anamalay, Beata Morak-Młodawska, Anand Gaurav, Charlie A Lavilla Jr, Mylene M Uy, Merell P Billacura, Patrick Nwabueze Okechukwu. In vitro study of antioxidant, antigylycation, sugar hydrolysis enzyme inhibitory effect and molecular in silico docking study of angularly condensed diquinothiazines. Journal of Molecular Structure, 1296, 2024. 10.1016/j.molstruc.2023.136856 [Impact Factor: 3.8, Scopus Q2, JCR Q3]

anand.gaurav@ddn.upes.ac.in