Computer aided drug design: advancement and methodology
Author(s):
Sanket Sandip Shinde , Saurabh S.Nevarekar, Shantanu V. Chavan , Mudassar Mulla, Tohid Nadaf, Sourabh Chougule, Anuja Patil, Nilesh Chougule
Keywords:
Artificial intelligence, Biological Database, CADD, Methodology, QSAR.
Abstract
Computer-Aided Drug Design (CADD) and manufacturing are computer applications for also industrial and academics that significantly impact the chain of processes from initial design to final product realization it also plays a crucial role in modern era for development and discovery. It is a diverse research field that integrates applied and basic aspects, utilizing structural study and molecular modeling. These systems include prototyping, reverse engineering, additive manufacturing, and intelligent management. CADD technology has become a significant factor in chemo informatics, replacing human minds with machines. These systems are sophisticated for both large and small industries, and are essential for managing processes, operations, manpower, resource handling, and meeting delivery deadlines. This paper provides an overview of CADD techniques and their advancements in the field of chemistry to design new leads. CADD helps identify suitable drug characteristics and compatibility, enabling easier access to pre-clinical trials. CADD focuses on two types: structure-based drug design and ligand-based drug design. Structure-based design involves identifying binding sites, docking, virtual screening, compound selection, and lead optimization, while ligand-based design involves quantitative structure activity relationship. The ligand-based drug design shows the relationship between the structure active site and the potent pharmacophore ligand. That complex gives the docking score for various chemical and pharmacological activity. This review article aims to help clinicians and researchers harness the potential of CADD in drug design and disease management. Also it explains methodology for drug design and its development with their actual action of potent drug.
Article Details
Unique Paper ID: 161624

Publication Volume & Issue: Volume 10, Issue 5

Page(s): 218 - 223
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