Editors: Zaheer Ul-Haq, Angela K. Wilson

Frontiers in Computational Chemistry

Volume 7

eBook: US $69 Special Offer (PDF + Printed Copy): US $111
Printed Copy: US $76
Library License: US $276
ISSN: 2352-944X (Print)
ISSN: 2352-9458 (Online)
ISBN: 978-981-5179-04-0 (Print)
ISBN: 978-981-5179-03-3 (Online)
Year of Publication: 2024
DOI: 10.2174/97898151790331240701

Introduction

Frontiers in Computational Chemistry (Volume 7) offers a comprehensive overview of the latest advances in molecular modeling techniques for drug discovery and development. This book focuses on key computational approaches such as rational drug design, adsorption studies, quantum mechanical calculations, and molecular interactions in drug development. It provides insights into lead generation, optimization, and the creation of novel chemical entities targeting various biological mechanisms, including inflammation.

The chapters explore modern computational tools and their applications, particularly in low—and middle-income countries (LMICs). The book is essential for researchers, academics, and professionals in computational chemistry, molecular modeling, and pharmaceutical sciences.

Readership:

Students and researchers.

Contributors

Editor(s):
Zaheer Ul-Haq
International Center for Chemical and Biological Sciences
Dr. Panjwani Center for Molecular Medicine and Drug Research
University of Karachi
Karachi
Pakistan


Angela K. Wilson
Department of Chemistry
Michigan State University
East Lansing, MI
USA




Contributor(s):
Anne Dayse Soares da Silva
Cesmac University Center
Pharmacy Departament
Maceió
Brazil


Arushi Chauhan
Department of Biophysics
Postgraduate Institute of Medical Education and Research
Chandigarh
India


Binglin Sui
Department of Chemistry
University of North Dakota, Grand Forks
ND 58202-9024
USA


Daniel Calazans Medeiros
Cesmac University Center
Pharmacy Departament
Maceió
Brazil


Erwin García-Hernández
Tecnológico Nacional de México Campus Zacapoaxtla
Subdirección de Posgrado e Investigación, División de Mecatrónica
Zacapoaxtla Puebla
México


Georgina A. Cardama
Center of Molecular and Translational Oncology
National University of Quilmes
Bernal
Argentina


Igor José dos Santos Nascimento
Postgraduate Program of Pharmaceutical Sciences
Pharmacy Department, State University of Paraíba
Campina Grande
Brazil


Mouhmad Elayyan
Department of Chemistry
University of North Dakota, Grand Forks
ND 58202-9024
USA


Mark R. Hoffmann
Department of Chemistry
University of North Dakota, Grand Forks
ND 58202-9024ND 58202-9024
USA


Marianny de Souza
Cesmac University Center
Pharmacy Departament
Maceió
Brazil


Paula L. Bucci
Institute of Sustainable Processes
University of Valladolid
Valladolid, 47011
Spain


Pramod K. Avti
Department of Biophysics
Postgraduate Institute of Medical Education and Research
Chandigarh
India


Ricardo Olimpio de Moura
Postgraduate Program of Pharmaceutical Sciences
Pharmacy Department, State University of Paraíba
Campina Grande
Brazil


Washley Phyama De Jesus Marinho
Drug Development and Synthesis Laboratory
Department of Pharmacy, State University of Paraíba
Campina Grande 58429-500
Brazil


Yvnni Maria Sales de Medeiros e Silva
Postgraduate Program of Pharmaceutical Sciences
Pharmacy Department, State University of Paraíba
Campina Grande
Brazil