Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences

Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences

1st Edition - May 21, 2021

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  • Editors: Navneet Sharma, Himanshu Ojha, Pawan Raghav, Ramesh Goyal
  • Paperback ISBN: 9780128217481
  • eBook ISBN: 9780128217474

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Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences brings together two very important fields in pharmaceutical sciences that have been mostly seen as diverging from each other: chemoinformatics and bioinformatics. As developing drugs is an expensive and lengthy process, technology can improve the cost, efficiency and speed at which new drugs can be discovered and tested. This book presents some of the growing advancements of technology in the field of drug development and how the computational approaches explained here can reduce the financial and experimental burden of the drug discovery process. This book will be useful to pharmaceutical science researchers and students who need basic knowledge of computational techniques relevant to their projects. Bioscientists, bioinformaticians, computational scientists, and other stakeholders from industry and academia will also find this book helpful.

Key Features

  • Provides practical information on how to choose and use appropriate computational tools
  • Presents the wide, intersecting fields of chemo-bio-informatics in an easily-accessible format
  • Explores the fundamentals of the emerging field of chemoinformatics and bioinformatics


Pharmaceutical science researchers and students who need basic knowledge of computational techniques relevant to their projects. Bioscientists, bioinformaticians, computational scientists as well as several stakeholders from industry and academia will also find this book helpful

Table of Contents

  • 1. Impact of Chemoinformatics Approaches and Tools on Current Chemical Research

    2. Structure- And Ligand-Based Drug Design: Concepts, Approaches and Challenges

    3. Advances in Structure Based Drug Design

    4. Computational Tools in Cheminformatics

    5. Structure Based Drug Designing Strategy to Inhibit Protein – Protein Interactions Using in Silico Tools

    6. Advance Approaches and In Silico Tools of Chemoinformatics In Drug Designing

    7. Chem-Bioinformatic Approach for Drug Discovery: In Silico Screening of Potential Antimalarial Compounds

    8. Mapping Genome by Using Bioinformatics Database and Tools

    9. Python, A Reliable Programming Language for Chemoinformatics And Bioinformatics

    10. Unveiling the Molecular Basis Of DNA-Protein Structure and Function: In Silico View

    11. Computational Cancer Genomics

    12. Computational and Functional Annotation at Genomic Scale: Gene Expression and Analysis

    13. Computational Methods (In Silico) And Stem Cells as Alternative to Animals in Research

    14. An Introduction To BLAST- Applications for Computer-Aided Design and Development

    15. Pseudoternary Phase Diagrams Use In Emulsion Preparation

Product details

  • No. of pages: 510
  • Language: English
  • Copyright: © Academic Press 2021
  • Published: May 21, 2021
  • Imprint: Academic Press
  • Paperback ISBN: 9780128217481
  • eBook ISBN: 9780128217474

About the Editors

Navneet Sharma

Dr. Navneet Sharma is the DST-Young Scientist at Indian Institute of Technology (IIT) - Delhi. Previously, to join IIT he had a research experience of 5 years at Defence Research and Development Organization (DRDO), Delhi, India under the prestigious DRDO Research Fellowship. He had completed his PhD from the DIPSAR, University of Delhi, India. He has extensive research, academic and education background in the field of computational chemistry, toxicology and pharmaceutical sciences. He had filled 4 patents along with 27 publications and authored 4 book chapters and 2 books. He is also the winner of the several international and national awards conferred by VIHA international foundation, CSIR-New Delhi, Department of Science and Technology-India and Indian Council of Medical Research. His special interest lies in the implementation of the computational techniques in Pharmaceutical Sciences.

Affiliations and Expertise

DST-Young Scientist, Indian Institute of Technology (IIT), Delhi, India

Himanshu Ojha

Dr. Himanshu Ojha has a BSc, MSc, and Ph.D. in Chemistry Honors from University of Delhi. His Ph.D. work involved the design, synthesis and biological evaluation of s-triazine derivatives for antimalarial activity against Plasmodium falciparum. He is now a senior scientist in Division of CBRN Defence of Institute of Nuclear Medicine and Allied Sciences.He had extensively worked on DFT studies of bimolecular interactions and reaction pathways. He has designed quite large number of new drug like compounds for various applications using virtual computational algorithms, QSAR and molecular docking. He has worked extensively in the field of 2D and 3D Quantitative structure activity relation (QSAR) studies to identify lead compounds for various particular applications. He has 29 research articles in various peer reviewed international journals, one book chapter and edited one book and 03 intellectual property rights.

Affiliations and Expertise

Division of CBRN Defense, Institute of Nuclear Medicine and Allied Sciences, New Delhi, India

Pawan Raghav

Dr. Pawan Kumar Raghav completed his MSc in Bioinformatics (2008) from Punjabi University Patiala, India; PG Diploma in Chemoinformatics (2009) from Jamia Hamdard; MPhil in Bioinformatics (2010) from The Global Open University, Nagaland; and PhD at the Institute of Nuclear Medicine and Allied Sciences (INMAS), DRDO, Delhi in Life Sciences from Bharathiar University, Coimbatore. During his Ph.D., he had designed molecules and evaluated their applications through response modification that regulates stem cells proliferation, differentiation, and apoptosis. His recent research activities are in the field of machine learning, deep learning, and molecular biology, as well as in the development of new scoring function parameterizations for use in docking, simulations, and complex network analysis. Currently, he is working as Scientist ‘D’ in Stem Cell Facility, AIIMS on stem cell informatics to establish a bridge between the experimental science and computational biology.

Affiliations and Expertise

Scientist ‘D’, Stem Cell Facility, AIIMS

Ramesh Goyal

Prof. Ramesh K. Goyal, the Vice Chancellor, Delhi Pharmaceutical Sciences and Research University (DPSRU) has been the Vice-Chancellor of Maharaja Sayajirao University of Baroda, Executive Director (Research & strategies) at V ClinBio Labs., Chennai, Director (Pharmacology) at NMIMS University, Mumbai; Director ISF College of Pharmacy, Moga, Punjab and Professor at L. M. College of Pharmacy, Ahmedabad. He has over 41 years of experience in Teaching and Research. Dr Goyal has three patents, 18 books, over 325 full papers articles and book chapters, over 500 abstracts published in National and International journals. He is the recipient of 72 awards, including Best Pharmacy Teacher and Best Pharmaceutical Research Scientist from APTI and Life Time Achievement & Distinguished Service Awards from International Academy of Cardiovascular Sciences, Canada (IACS). He is the Fellow of eight professional bodies and is currently Council member of the IACS, Canada and the Vice President of IACS, (India Chapter).

Affiliations and Expertise

Professor, Vice Chancellor, Delhi Pharmaceutical Sciences and Research University (DPSRU), India

Ratings and Reviews

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  • Simran Wed Sep 29 2021

    Simran Chopra

    Good book for students who would like to learn bioinformatics.

  • Ashrit N. Thu Sep 23 2021

    Scientific substance served via user-friendly means

    An informative book , well suited for beginners and experts alike, for either venturing into the field of bioinformatics or brushing up the knowledge. Highly recommended for post-graduates

  • Naresh N. Wed Sep 22 2021

    Prof Naresh N

    Focused on scientific substance

  • Prof M. Tue May 25 2021


    Good book for the beginners interested to work in the field of the Bioinformatics. Must recommended to the postgraduate students.