Computational Approaches in Drug Discovery, Development and Systems Pharmacology

Computational Approaches in Drug Discovery, Development and Systems Pharmacology

1st Edition - January 20, 2023

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  • Editors: Rupesh Gautam, Mohammad Amjad Kama, Pooja Mittal
  • Paperback ISBN: 9780323991377

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Computational Approaches in Drug Discovery, Development and Systems Pharmacology provides detailed information on the use of computers in advancing pharmacology. Drug discovery and development is an expensive and time-consuming practice, and computer-assisted drug design (CADD) approaches are increasing in popularity in the pharmaceutical industry to accelerate the process. With the help of CADD, scientists can focus on the most capable compounds so that they can minimize the synthetic and biological testing pains. This book examines success stories of CADD in drug discovery, drug development and role of CADD in system pharmacology, additionally including a focus on the role of artificial intelligence (AI) and deep machine learning in pharmacology. Computational Approaches in Drug Discovery, Development and Systems Pharmacology will be useful to researchers and academics working in the area of CADD, pharmacology and Bioinformatics.

Key Features

  • Explains computer use in pharmacology using real-life case studies
  • Provides information about biological activities using computer technology, thus allowing for the possible reduction of the number of animals used for research
  • Describes the role of AI in pharmacology and applications of CADD in various diseases


Researchers and academics working in the area of CADD, pharmacology and Bioinformatics

Table of Contents

  • 1. In sillico pharmacology
    2. Computer aided drug design and drug discovery
    3. Alternative biological screening methods
    4. AI and deep machine learning in pharmacology
    5. Pharmacophore modelling
    6. Target identification and validation
    7. New drug discovery pipeline
    8. Virtual screening

Product details

  • No. of pages: 362
  • Language: English
  • Copyright: © Academic Press 2023
  • Published: January 20, 2023
  • Imprint: Academic Press
  • Paperback ISBN: 9780323991377

About the Editors

Rupesh Gautam

Dr. Rupesh K. Gautam is currently working as Professor and Head, Department of Pharmacology, Indore Institute of Pharmacy, Rau, Indore, India. He has more than 14 years of teaching and research experience. He has more than 65 research and review articles to his credit in various journals of repute. He has also published ten books and eighteen book chapters with Elsevier, Springer, Wiley, Scivener, Bentham, NOVA etc. He has filed two patents and registered fourty two copyrights. He has supervised 21 M. Pharm scholars. Dr. Gautam has also received grants from various government agencies/associations for conducting FDP/seminars/conferences/workshops. He has attended and organized several International and National seminar, conferences and workshops as a team member and organizing secretary/coordinator. He has been Guest Editor of Phytomedicine, Current Pharmaceutical Design, Neuroscience and Biobehavioral Reviews, Evidence-Based Complementary and Alternative Medicine and Biomed Research International.

Affiliations and Expertise

Department of Pharmacology, Indore Institute of Pharmacy, IIST Campus, Indore (M.P.), India

Mohammad Amjad Kama

Mohammad Amjad Kamal is Distinguished Adjunct Professor at King Fahd Medical Research Center, King Abdulaziz University, Saudi Arabia. Professor Kamal’s overall biochemical research output has culminated in more than 600 publications in journals of international repute and 61 abstracts in international conferences. His research was pivotal in supporting the development of the novel anti-Alzheimer agents from the laboratory to the clinic via collaboration with Dr Nigel H. Greig (United States). He migrated to Australia in 1998 and was awarded a prestigious U2000 Postdoctoral Fellowship in 2000 by the University of Sydney, School of Molecular and Microbial Biosciences.

Affiliations and Expertise

King Fahd Medical Research Center (KFMRC), King Abdulaziz University, Jeddah, Saudi Arabia

Pooja Mittal

Dr. Pooja Mittal is currently working as an Associate Professor at Chitkara College of Pharmacy, Chitkara University, Rajpura,Punjab, India. She has 9+ years of experience in teaching and research. Prior to this, she worked at RIMT University, Mandi Gobindgarh (Punjab), Maharishi Markandeshwar University (Sadopur) Ambala (Haryana) and at Baddi University of Emerging Sciences and Technology, Baddi (Solan). She received the travel grant from DST-SERB in 2016 to attend the International Convention of Controlled Release Society, held at Seattle, USA. She received her Ph.D degree from Department of Pharmaceutical Engineering and Technology, IIT (BHU) Varanasi in 2018. She also received the Young Scientist Award- WF from SPER in 2017.

Affiliations and Expertise

Chitkara College of Pharmacy Chitkara University, Rajpura, Punjab, India

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