Computer-Aided Drug Design: An Innovative Tool for Modeling

作     者：Pranita P. Kore Madhavi M. Mutha Rishikesh V. Antre Rajesh J. Oswal Sandip S. Kshirsagar 

作者机构：Medicinal Chemistry Research Laboratory JSPM’s Charak College of Pharmacy & Research Pune India 

出 版 物：《Open Journal of Medicinal Chemistry》 (药物化学期刊（英文）)

年 卷 期：2012年第2卷第4期

页      码：139-148页

摘      要：Strategies for CADD vary depending on the extent of structural and other information available regarding the target (enzyme/receptor) and the ligands. Computer-aided drug design (CADD) is an exciting and diverse discipline where various aspects of applied and basic research merge and stimulate each other. In the early stage of a drug discovery process, researchers may be faced with little or no structure activity relationship (SAR) information. The process by which a new drug is brought to market stage is referred to by a number of names most commonly as the development chain or “pipeline” and consists of a number of distinct stages. To design a rational drug, we must firstly find out which proteins can be the drug targets in pathogenesis. In present review we reported a brief history of CADD, DNA as target, receptor theory, structure optimization, structure-based drug design, virtual high-throughput screening (vHTS), graph machines.

主 题 词：CADD HTS Software for General Purpose Molecular Modeling SBDD 

学科分类：1002[医学-临床医学类] 100214[100214] 10[医学] 

D　O　I：10.4236/ojmc.2012.24017

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