computer-aided drug design

Published Subscription Review Article 20 Jul 2024

Modern Computer-aided Drug Design Methods: A Review

By Mohd. Wasiullah, Piyush Yadav, Anand Prakash, Satish Kumar Yadav, Mr. Sushil Yadav

Abstract: Computer-aided drug design (CADD) has emerged as a crucial tool in the drug discovery process, offering a time-efficient and cost-effective approach to identifying potential drug candidates. This review aims to provide an overview of modern CADD methods, including high-throughput screening (HTS), structure-based drug design (SBDD), ligand-based drug design (LBDD), structure-based virtual screening (SBVS), and ligand-based virtual screening (LBVS). We discuss the basic principles, applicability, and limitations of each method, highlighting …

Published in Research and Reviews: A Journal of Dentistry · Vol. 15, Issue 2, 2024 · pp. 14–20 Read article

Published Subscription Review Article 19 Jul 2024

Quantitative Structure-activity Relationship in Computer-aided Drug Design: A Review

By Satish Kumar Yadav, Manyta Yadav, Mohd. Wasiullah, Piyush Yadav, Priyanshu Upadhyay

Abstract: Quantitative Structure-Activity Relationship stands at the forefront of Computer-Aided Drug Design, providing a systematic framework for understanding the relationship between the chemical structure of molecules and their biological activity. The present review delves into the multifaceted realm of quantitative structure-activity relationship methodologies within the landscape of drug discovery. Through an exploration of diverse quantitative structure-activity relationship models, molecular descriptors, validation techniques, and recent advancements, the present article aims to elucidate …

Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 15, Issue 2, 2024 · pp. 55–63 Read article

Published Ahead of print Subscription Review Article 9 Jul 2024

A Review on Anesthetic Drug Discovery with Computer Aided Drug Design

By Satish Kumar Yadav, Mohd. Wasiullah, Piyush Yadav, Ankit Maurya, Mr. Sushil Yadav

Abstract: In contemporary medicine, anaesthesia is essential for enabling surgical procedures, pain control, and patient comfort. Finding and creating safe and efficient anaesthetics is crucial to enhancing patient outcomes and developing the medical field. In this review, we provide a comprehensive overview of anesthetic drug discovery with a focus on the integration of computer-aided drug design (CADD) methodologies. Beginning with an exploration of anesthesia mechanisms and targets, we delve into the …

Published in International Journal of Antibiotics Read article

Published Subscription Review Article 9 Jul 2024

An Extensive Analysis of Computer-Aided Drug Design for Novel Psychotropic and Neurological Substances

By Satish Kumar Yadav, Mohd. Wasiullah, Piyush Yadav, Safiya Sajid, Ms. Anjali Maurya

Abstract: A comprehensive review of the use of computer-aided drug design (CADD) in the creation of innovative neurologic and neuropsychiatric medications is given in this article. It discusses the challenges in traditional drug discovery approaches and highlights the role of computational methods in accelerating the identification and optimization of drug candidates targeting psychiatric and neurological disorders. The method of finding new drugs has been completely transformed by Computer-Aided Drug Design (CADD), …

Published in International Journal of Brain Sciences · Vol. 1, Issue 2, 2024 · pp. 19–27 Read article