Om Silakari, Pankaj Kumar Singh

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design (eBook, ePUB)

• Format: ePub

Produktbeschreibung

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design discusses each experimental protocol utilized in the field of bioinformatics, focusing especially on computer modeling for drug development. It helps the user in understanding the field of computer-aided molecular modeling (CAMM) by presenting solved exercises and examples. The book discusses topics such as fundamentals of molecular modeling, QSAR model generation, protein databases and how to use them to select and analyze protein structure, and pharmacophore modeling for drug targets. Additionally, it discusses data retrieval system, molecular surfaces, and freeware and online servers.

The book is a valuable source for graduate students and researchers on bioinformatics, molecular modeling, biotechnology and several members of biomedical field who need to understand more about computer-aided molecular modeling.

• Presents exercises with solutions to aid readers in validating their own protocol
• Brings a thorough interpretation of results of each exercise to help readers compare them to their own study
• Explains each parameter utilized in the algorithms to help readers understand and manipulate various features of molecules and target protein to design their study

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Produktdetails

• Verlag: Elsevier Science & Techn.
• Seitenzahl: 396
• Erscheinungstermin: 5. November 2020
• Englisch
• ISBN-13: 9780128205471
• Artikelnr.: 61687789

Autorenporträt

Dr. Om Silakari is an assistant professor in the Department of Pharmaceutical Sciences and Drug Research, Punjabi University, Patiala, India. He received his Ph.D. degree from Dr. Hari Singh Gour University, India and has been teaching and researching in this area for over 10 years. His research areas include computer-assisted drug designing (CADD) of new anti-inflammatory, antidiabetic and anticancer targets, and the synthesis of new lead molecules. In addition to supervising multiple M. Pharm. and PhD students, he has authored two books and published over 60 papers in international journals. Dr Silakari is an active reviewer for many international journals, has been awarded funding for several research projects, and regularly delivers talks at both national and international conferences.Dr. Pankaj Kumar Singh, Ph.D., is currently working as an Assistant Professor in the Department of Pharmaceutics at the National Institute of Pharmaceutical Education and Research-Hyderabad (NIPER-Hyderabad) India. He has received his Doctorate in Pharmaceutics from CSIR-Central Drug Research Institute, Lucknow, India. He has been closely associated with several scientific and socially impactful projects funded by various prestigious bodies like TSCOST-DBT, CCRUM, DST, ICMR and Department of Pharmaceuticals, Ministry of Chemicals and Fertilizers, Government of India. He has gained experience of over a decade in the field of teaching and research related to pharmaceuticals. He has more than 10 years of experience in working on targeted drug delivery systems for various hydrophobic and hydrophilic drug candidates. He has gained experience in the development of peptide-based liposomal delivery and ligand anchored delivery systems for the treatment of various life-threatening diseases, especially cancer and visceral leishmaniasis. He has published more than 85 quality papers along with reviews in journals of high repute and has a cumulative impact factor of more than 500, h-index 24, i10 index 44 and 1675 citations. He has edited 5 books, co-authored 40 book chapters and filed 7 patents with 2 patents granted. He is also involved in technology transfer of one product. He has also bagged several accolades like the "CSIR-Research Associate award, "CSIR-Senior Research Fellowship award, two times travel grant award and financial Assistance and Incentive award for research paper publication. He has been keenly involved and associated with allied works say posters, abstracts, symposiums, invited talks, training and workshop and other research activities. He holds the membership of several nationally and internationally recognized bodies of repute like the Indian Pharma Education Society, Indian Science Congress Association and Bioencapsulation Research Group. He is a peer reviewer of various international Journals and publishers. He has guided 26 M.S. students for their dissertations/research projects and 11 Ph.D. students continuing their research work under his guidance. He has rich research and teaching experience in the formulation and development of various novel and targeted drug delivery systems.

Inhaltsangabe

1. Fundamentals of molecular modeling2. Descriptor calculations for QSAR
models3. Development of Hansch models and their validation4. QSAR model
generation using Free Wilson approach5. QSAR model generation using mixed
approach6. Exploration of protein databases for the selection and analysis
of protein structure7. Utilization of protein sequence alignment tools8.
Preparation of Homology modelled protein structures9. Molecular docking
analysis for drug-receptor interactions10. 3D QSAR analysis11.
Pharmacophore modeling for drug targets12. Molecular Dynamic simulations
13. Data retrieval system14. Molecular surfaces15. Freewares and Online
servers