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Revolutionizing Drug Discovery: Cutting-Edge Computational Techniques

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Author:   Swati Verma, PhD, M. Pharm (Assistant Professor, I.T.S. College of Pharmacy, Ghaziabad, UP, India) ,  Ajmer Singh Grewal ,  Chaitanay Vinayak Narayan, PhD (Assistant Professor, Sunder Deep Pharmacy College, Ghaziabad, UP, India) ,  Neelam Singh, PhD (Professor & HoD, HR Institute of Pharmacy, HRIT University, Ghaziabad, India)
Publisher:   Elsevier Science Publishing Co Inc
Imprint:   Academic Press Inc
Weight:   0.900kg
ISBN:  

9780443346491

ISBN 10:   0443346496
Pages:   480
Publication Date:   21 May 2025
Audience:   Professional and scholarly ,  Professional & Vocational
Format:   Hardback
Publisher's Status:   Active
Availability:   Manufactured on demand  
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Table of Contents

1. Innovative Computational Approaches in Drug Discovery and Design Himansu Bhusan Samal 2. Advanced Molecular Modeling of Proteins: Methods, Breakthroughs, and Future Prospects Gatadi Srikanth 3. Predictive Cavity and Binding Site Identification: Techniques and Applications Shilpa Chandel 4. ADMET Tools in the Digital Era: Applications and Limitations Sonali S. Shinde, Prabhanjan Giram, Pravin S. Wakte and Sachin S. Bhusari 5. Essential Database Resources for Modern Drug Discovery Dr. Kuldeep Vinchurkar Sr. 6. Deep Learning for Drug Design and Development Dr. Sushanta Kumar Das, Saumendu Deb Roy, Rahul Mishra, Amit Samanta and Dibyendu Shil 7. Molecular Docking and Structure-Based Drug Design: From Theory to Practice Manasvi Saini 8. Molecular Dynamics Simulations: Insights into Protein and Protein-Ligand Interactions Geeta Deswal 9. Targeting Disease: Computational Approaches for Drug Target Identification Puneet Gupta 10. High-throughput computational Screening for Lead Discovery and Development S. Neelufar Shama 11. Harnessing Machine Learning for Rational Drug Design Kalpana Pravin Rahate 12. Identifying Novel Drug Targets with Computational Precision Riya Dave 13. Computational Exploration of Viral Cell Membrane Structures for Identifying Novel Therapeutic Target Hridoy R. Bairagya 14. The Translational Impact of Bioinformatics on Traditional Wet Lab Techniques Reshmi Ramakrishnan 15. Pharmacophore Modeling in Drug Design Yasmin Hamid Momin 16. Emerging Horizons of AI in Pharmaceutical Research Somnath Das 17. Integrative Computational Approaches in Pharmaceuticals: Driving Innovation in Discovery and Delivery Nikhil Rajnani 18. Innovations in vaccine design: computational tools and techniques Syed Tasleem Raza 19. Real-world applications of Molecular Docking in Drug Discovery Somenath Dutta 20. Challenges and Limitations of Computer-Aided Drug Design Souvik Sur 21. Future Prospects of AI in Drug Discovery Mithun Bhowmick, Sabina Yasmin, Sourajyoti Goswami and Pratibha Bhowmick

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Author Information

Swati Verma completed her B.Pharmacy from Dr. A.P.J. Abdul Kalam Technical University and her M.Pharmacy in Pharmaceutical Chemistry from Banasthali Vidyapith, Rajasthan, where she was awarded a Gold Medal in both her bachelor's and master's degrees. Her Ph.D. research focuses on neurodisorders. She has been working in the Department of Pharmacy at I.T.S. College of Pharmacy for the past 1.5 years. Previously, she held the position of Assistant Professor at Galgotias University, Greater Noida, and BBDNIIT, Lucknow. Her areas of interest include Computer-Aided Drug Design, Analytical Chemistry, Targeted Drug Delivery, and Nanoformulations. She has authored numerous review and research papers published in international journals, six patents, various book chapters, and edited seven books with publishers such as Apple Academic Press, Taylor and Francis, River Publishers, Nova, and Elsevier."" Chaitanay Vinayak Narayan is an Assistant Professor in the Department of Pharmacy at I.T.S. College of Pharmacy, where he has been teaching for over 2.5 years. He completed his B.Pharmacy from PT.B.D.Sharma University and his M.Pharmacy in Pharmaceutical Chemistry from Amity University, Noida. Chaitanay is skilled in a variety of chemistry software like ChemSketch, ChemDraw, and Marvin Sketch for molecular design, as well as Open Babel and Frog2 for optimizing structures. He employs PyMOL for molecular graphics and utilizes in silico docking tools such as Glide (Schrodinger), AutoDock, AutoDock Vina, and Discovery Studio (Dassault. He has written many research and review articles in international journals and contributed to several book chapters, highlighting his strong background in pharmaceutical sciences. Dr. Neelam Singh is currently working as an Associate Professor in the Department of Pharmaceutics, Noida Institute of Engineering and Technology (Pharmacy Institute), 19 Knowledge Park-2, Greater Noida, Uttar Pradesh, India. She is also an adjunct faculty and a member of UIAP at Management and Science University, Shah Alam, Selangor, Malaysia. She did her Graduation a post-graduation and Doctorate in Pharmaceutical Sciences from Uttar Pradesh Technical University, Lucknow, India. She has diverse experience in the field of pharmacy and pharmaceutical nanotechnology. With more than 14 years of teaching and research experience, she has published several research and review articles, book and book chapters in peer-reviewed journals of international repute, and granted national patents. She also works as an editor and reviewer for the journals. She has current research interests in the Nano delivery of phyto-molecules as a therapeutic option for dermatological illness.

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