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Applied Computer-Aided Drug Design: Models and Methods
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Editor: Igor José dos Santos Nascimento

Applied Computer-Aided Drug Design: Models and Methods

eBook: US $69 Special Offer (PDF + Printed Copy): US $117
Printed Copy: US $83
Library License: US $276
ISBN: 978-981-5179-94-1 (Print)
ISBN: 978-981-5179-93-4 (Online)
Year of Publication: 2023
DOI: 10.2174/97898151799341230101
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Introduction

Designing and developing new drugs is an expensive and time-consuming process, and there is a need to discover new tools or approaches that can optimize this process. Applied Computer-Aided Drug Design: Models and Methods compiles information about the main advances in computational tools for discovering new drugs in a simple and accessible language for academic students to early career researchers. The book aims to help readers understand how to discover molecules with therapeutic potential by bringing essential information about the subject into one volume.

Key Features

Presents the concepts and evolution of classical techniques, up to the use of modern methods based on computational chemistry in accessible format.

Gives a primer on structure- and ligand-based drug design and their predictive capacity to discover new drugs.

Explains theoretical fundamentals and applications of computer-aided drug design.

Focuses on a range of applications of the computations tools, such as molecular docking; molecular dynamics simulations; homology modeling, pharmacophore modeling, quantitative structure-activity relationships (QSAR), density functional theory (DFT), fragment-based drug design (FBDD), and free energy perturbation (FEP).

Includes scientific reference for advanced readers

Readership

Students, teachers and early career researchers.


eBook: US $69 Special Offer: US $117 Printed Copy: US $83 Library License: US $276

Contributors

Editor(s):
Igor José dos Santos Nascimento
Programa de Pós-Graduação em Ciências Farmacêuticas(PPGCF)
Departamento de Farmácia
Universidade Estadual da Paraíba
Campina Grande-PB
Brazil



Contributor(s):
Abha Vyas
Department of Pharmaceutical Chemistry
L.J. Institute of Pharmacy, L.J. University
Ahmedabad 382 210
India


Anwesha Das
Department of Medicinal Chemistry
National Institute of Pharmaceutical Education and Research, Ahmedabad, Palaj, Gandhinagar 382355
Gujarat
India


Arijit Nandi
Department of Pharmacology
Dr. B.C. Roy College of Pharmacy and Allied Health Sciences
Durgapur-713206, West Bengal
India


Blanca Colín-Lozano
Facultad de Ciencias Químicas
Benemérita Universidad Autónoma de Puebla
Puebla
México


Burak TÜZÜN
Plant and Animal Production Department
Technical Sciences Vocational School of Sivas, Sivas Cumhuriyet University>
Sivas
Turkey


Dharmraj V. Pathak
Department of Pharmaceutical Chemistry
L.J. Institute of Pharmacy, L.J. University
Ahmedabad 382 210
India


Edeildo Ferreira da Silva-Júnior
Institute of Chemistry and Biotechnology, Federal University of Alagoas, Lourival Melo Mota Avenue, AC. Simões campus
5587072-970, Alagoas, Maceió
Brazil
/
Laboratory of Medicinal Chemistry
Federal University of Alagoas, Lourival Melo Mota Avenue, AC. Simões campus
5587072-970, Alagoas, Maceió
Brazil


Emin SARIPINAR
Department of Chemistry
Faculty of Science, Erciyes University
Melikgazi, 38039, Kayseri
Turkey


Esin Aki-Yalcin
Department of Pharmaceutical Chemistry
Faculty of Pharmacy, Cyprus Health and Social Sciences University
Guzelyurt
Northern Cyprus


Fernando D. Prieto-Martínez
Instituto de Química
Universidad Nacional Autónoma de México
Ciudad de México
México


Francisco Jaime Bezerra Mendonça-Júnior
Laboratory of Synthesis and Drug Delivery, Department of Biological Sciences
State University of Paraiba
João Pessoa 58429-500, PB
Brazil


Hardik G. Bhatt
Department of Pharmaceutical Chemistry
Institute of Pharmacy, Nirma University
Ahmedabad 382 481
India


Igor José dos Santos Nascimento
Pharmacy Department
Estácio of Alagoas College
Maceió-AL
Brazil
/
Pharmacy Department
Cesmac University Center
Maceió-AL
Brazil
/
Programa de Pós-Graduação em Ciências Farmacêuticas (PPGCF), Departamento de Farmácia
Universidade Estadual da Paraíba
Campina Grande-PB
Brazil


Mallika Alvala
MARS Training Academy
Hyderabad
India


Muhammed Tilahun Muhammed
Department of Pharmaceutical Chemistry
Faculty of Pharmacy, Suleyman Demirel University
Isparta
Turkey


Paresh K. Patel
Department of Pharmaceutical Chemistry
L.J. Institute of Pharmacy, L.J. University
Ahmedabad 382 210
India


Peng Zhan
Department of Medicinal Chemistry
Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University
PR China


Rodrigo Santos Aquino de Araújo
Laboratory of Synthesis and Drug Delivery, Department of Biological Sciences
State University of Paraiba
João Pessoa 58429-500, PB
Brazil


Ricardo Olimpio de Moura
Programa de Pós-Graduação em Ciências Farmacêuticas (PPGCF), Departamento de Farmácia
Universidade Estadual da Paraíba
Campina Grande-PB
Brazil


Samuel Baraque de Freitas Rodrigues
Institute of Chemistry and Biotechnology, Federal University of Alagoas, Lourival Melo Mota Avenue
AC. Simões campus, 5587072-970, Alagoas, Maceió
Brazil


Serap ÇETINKAYA
Department of Molecular Biology and Genetics
Science Faculty, Sivas Cumhuriyet University
Sivas
Turkey


Sneha R. Sagar
Department of Pharmaceutical Chemistry
L.J. Institute of Pharmacy, L.J. University
Ahmedabad 382 210
India


Thayane Regine Dantas de Mendonça
Laboratory of Medicinal Chemistry
Federal University of Alagoas, Lourival Melo Mota Avenue
AC. Simões campus, 5587072-970, Alagoas, Maceió
Brazil


Vijeta Kumari
Laboratory of Natural Product Chemistry, Department of Pharmacy
Birla Institute of Technology and Science, Pilani (BITS Pilani), Pilani Campus
Pilani-333031, Rajasthan
India


Yelzyn Galván-Ciprés
Escuela Nacional de Ciencias Biológicas
Instituto Politécnico Nacional
Ciudad de México
México