Drug Design

The most fundamental goal in drug design is to predict whether a given molecule will bind to a target and if so how strongly. Molecular mechanics or molecular dynamics is most often used to estimate the strength of the intermolecular interaction between the small molecule and its biological target. These methods are also used to predict the conformation of the small molecule and to model conformational changes in the target that may occur when the small molecule binds to it. Semi-empirical, ab initio quantum chemistry methods, or density functional theory are often used to provide optimized parameters for the molecular mechanics calculations and also provide an estimate of the electronic properties (electrostatic potential, polarizability, etc.) of the drug candidate that will influence binding affinity

SPEAKERS

Mrs. Kavitha K

Mrs. Kavitha K has completed her M.PHARM at Nov’2012 from The Tamilnadu Dr.M.G.R. Medical University, Chennai,India.She is pursuing Ph.D at Annamalai university in Chidambaram, Tamilnadu, India. She is working as a Associate Professor at Karpagam college of Pharmacy, Coimbatore, Tamilnadu, India. She has 10 years academic and research experience and over 20 publications that have been cited over 36 times, and her publication h- Index is 4 and Research papers presented in conferences and also author of Text book of Medicinal Chemistry (III PHARM D) published on Jan’2021.She has website Researcher ID google scholar, orchid, publon creditor. She has been serving as an editorial board member and reviewer more than one reputed Journal.

Lecture Title: COMPUTER AIDED DRUG DESIGN AN EMERGING TOOLS IN PHARMACEUTICAL RESEARCH

Dr. Manali Joshi

I did my Masters in Biotechnology from IIT Bombay and PhD in Biochemistry from University of Houston, USA. After PhD, I worked with VLifeSciences Pvt. Ltd. from 2008 to 2010. Since 2011, I am working as an Assistant Professor at the Bioinformatics Centre, S. P. Pune University. I am interested in using computational tools to better understand the Structure-Function-Inhibition paradigm of proteins. More specifically, I am working on inhibitor design for the proteins such as DNMT1, eIF2-α kinases, structurefunction studies of nsSNPs in GPCRs including other proteins and several other interesting projects. Most of my work is done in collaboration with other experimental and computational groups.

Lecture Title: PRECISION MEDICINE

Dr. Megha Sahu

Dr. Megha Sahu is PhD with 2.5 years of Regulatory and 1.5 years of pharmaceutical industries experience. She has great hands on experience of regulatory submission, EU compliance and excellent technical writing skills with 10 journal articles submitted and almost 10 papers presented in national and industrial conferences. She has vast experience in computational and molecular biology. Dr. Sahu has good knowledge of analytical instruments as well as data interpretation. She also has solid background in oncology and research projects. Dr . Sahu is also trained in animal models, in-vivo, in-vitro, enzyme assay and cell line testing.

Lecture Title: STORY OF DHFR INHIBITOR LEADS

Dr. Amit G. Nerkar

Dr. Amit G. Nerkar obtained his B. Pharm from Vidya Bharati College of Pharmacy, Amravati, M.S., India., M. Pharm in Pharmaceutical (Medicinal) Chemistry from College of Pharmaceutical Sciences (Govt . Aided), Orissa. He obtained his Doctorate (Ph.D) in Pharmaceutical Sciences from School of Pharmacy and Technology Management, NMIMS University, Mumbai. During his PhD he was awarded Senior Research Fellow for Indian Council of Medical Research, Ministry of Health and Family Welfare, New Delhi. He has 57 presentations in Conferences of National and International Levels and 59 Publications in SCI indexed journals with SCI Mago Impact Factor. He is also member of Editorial Board for many SCI indexed Journals. His major research area include Computer Aided Drug Design, In silico Virtual Screenings, 2- D & 3-D QSAR, Synthesis of Novel and Bioactive Molecules and Pharmacological Screenings. He also has passed his certification in Clinical Pharmacology from Harvard Medical School, USA and National Institutes of Health, Department of Health and Human Services, Office of Clinical Research, USA., Dr. Nerkar is also working as Founder and Director for his self –owned Ateos Foundation of Science Education and Research, Pune, M.S., India a, NonProfit organization dealing in philanthropic education. He is also working as Founder and Director for his self-owned Carolene Therapeutics Pvt Ltd for serving pharmaceutical and Medical needs in India. Dr. Amit G.Nerkar has at total 18 years of experience since M.Pharm and 14 years post-PhD experience. He has also designed syllabi of 2013 pattern and 2015 pattern for BOS, Pharmaceutical Chemistry, SPPU as an expert. He also has published 11 textbooks for pharmacy with ISBN.

Lecture Title: DRUG DESIGN

Dr. Renu Vyas

Dr. Renu Vyas has obtained her PhD from the premier National Chemical Laboratory Pune after qualifying the joint CSIR-NET JRF examination. She pursued her post-doctoral studies at the University of Tennessee, Knoxville USA in the field of porphyrin synthesis. Dr Vyas has held high positions in industry, research and academia. She worked as assistant manager, chemoinformatics in IT industry and then led the department of bioinformatics and computer sciences at Dr. D.Y. Patil University where she was also a recognized PhD guide. She was awarded the DST scientist fellowship to pursue her research in the field of application of machine learning methods for protein protein interactions in the division of Chemical Engineering at NCL, Pune. She possesses twenty years of experience in the multidisciplinary fields of organic synthesis, bioinformatics, drug design and machine learning. She has authored thirty international research publications, ten patents, funded projects, several book chapters and a book (Springer) to her credit. She serves as reviewer of international journals in the field of computational modeling.

Lecture Title: JOURNEY OF DRUG

Dr. Sudip Roy

Dr. Sudip Roy, Chief Executive Officer and Founder of Prescience Insilico Private Limited. His company works in applying deep tech in science and especially in computational Life Sciences and Material Science domains. Dr. Roy was awarded his PhD in Chemical Sciences from the University of Saarland in Germany followed by post-doctoral work at Technical University Darmstadt, Germany. He is a Chevening Fellow and studied management of research, science, and innovation at the University of Oxford. He has also been elected as a Fellow to the Royal Society of Chemistry. Before founding Prescience Insilico Private Limited Dr. Roy headed Quantum and High-Performance Computing at Amazon Web Service worked as a technology manager at Intel and headed R&D of Akamara Biomedicine as Associate vice president. He has also worked as a senior researcher for computational chemistry and materials sciences at Shell R&D. He has started his career as a scientist at the CSIR- National Chemical Laboratory in Pune where he headed a computational chemistry group.

Lecture Title: PRINS3 SOFTWARE