Molecular Modeling and Docking Techniques for Drug Discovery and Design

Ajmal Rashid Bhat, Sumeer Ahmed, S. M. Abe Kawsar

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English

Medical Information Science Reference
05 February 2025

Pharmacology; Physical chemistry

In the realm of pharmaceutical research, the challenge of efficiently discovering and designing new drugs to combat diseases is ever-present. Traditional approaches to drug discovery often rely on time-consuming and costly experimental methods, leading to lengthy development timelines and high failure rates. This problem is exacerbated by the complexity of molecular interactions and the vast chemical space to explore. As a result, there is a pressing need for innovative solutions that can streamline the drug discovery process and improve its success rate. Molecular Modeling and Docking Techniques for Drug Discovery and Design addresses this critical challenge by offering a comprehensive guide to advanced computational methods in pharmaceutical research. Edited by leading experts in the field, the book provides insights into molecular modeling, docking, and other computational approaches that can significantly accelerate the drug discovery process. By leveraging computational tools and software, researchers can simulate molecular interactions, predict drug efficacy, and optimize chemical structures with greater speed and accuracy than traditional experimental methods. With its emphasis on practical applications and real-world case studies, this book equips researchers, educators, and students with the knowledge and tools needed to overcome the challenges of modern drug discovery. By integrating computational techniques into their research workflows, pharmaceutical scientists can enhance their ability to identify promising drug candidates, ultimately leading to the development of more effective treatments for a wide range of diseases. Molecular Modeling and Docking Techniques for Drug Discovery and Design serves as a valuable resource for anyone seeking to harness the power of computational chemistry to revolutionize the field of pharmaceutical research.

Edited by: Ajmal Rashid Bhat, Sumeer Ahmed, S. M. Abe Kawsar
Imprint: Medical Information Science Reference
Country of Publication: United States [Currently unable to ship to USA: see Shipping Info]
Dimensions: Height: 254mm, Width: 178mm,
ISBN: 9798369356029
Pages: 690
Publication Date: 05 February 2025
Audience: Professional and scholarly , Undergraduate
Format: Paperback
Publisher's Status: Active

Ajmal Rashid Bhat has received Doctor of Philosophy (Ph.D.) in Organic Chemistry from Department of Chemistry, R.T.M. Nagpur University, Nagpur, Maharashtra-440033 (India). More than eighty five (85) papers published in international and national journals and eight books in his credit both at national and international levels. He is the editor/Associate editor of various international journals. Besides he was awarded five best presentation awards at different international conferences. His research interests are Green Chemistry, Environmental Chemistry, Sustainable chemistry, Computational Chemistry, Medicinal Chemistry, Organic Chemistry, Drug discovery. Sumeer Ahmed completed Ph.D. (inorganic Chemistry) at Post-Graduate and Research Department of Chemistry, The New College (Autonomous), University of Madras, Chennai – 600 014, India. He has published around 30 research papers in well reputed Scopus journals. He is research advisory committee member of The New College (Autonomous), Chennai – 600 014, India. His area of research interests are Computational chemistry, Green chemistry, Polymer chemistry, Organometallic chemistry, Medicinal chemistry. Moreover, he is the recipient of Global Award Innovation and Knowledge Excellence Award for Innovation in Education in the Field of Chemistry (2019) and Kalam Ratna Award (2020). Recipient of Council of Council of Scientific & Industrial Research Junior Research Fellowship Award (2019) and Senior Research Fellowship Award (2022). S. M. Abe Kawsar was awarded his Ph.D. degree in Glycobiology from the Yokohama City University, Japan. As a standard postdoctoral research fellow (2009-2011) by the Japan Society for the Promotion of Science (JSPS) for two years in the Laboratory of Glycobiology and Marine Biochemistry, Department of Genome System Science at Yokohama City University, Japan. Prof. Kawsar has published more than 156 original articles in peer-reviewed International and National scientific journals. Furthermore, he has four books and eleven book chapters. He has supervised more than 36 Master’s thesis students and currently 2 Ph.D., 4 M.Phil. and 9 Master’s students are working under his supervision in his LCNC laboratory. Prof. Kawsar is working as a Full Professor at the Laboratory of Carbohydrate and Nucleoside Chemistry (LCNC), Department of Chemistry, University of Chittagong, Bangladesh.