靶向药物设计-虚拟中的现实

Title:Target Based Drug Design - A Reality in Virtual Sphere

Volume: 22 Issue: 13

Author(s): Saroj Verma and Yenamandra S. Prabhakar

Affiliation:

关键词: 耐药性，同源建模，分子动力学，基于结构的药物设计，结构疫苗学，靶向药物设计，靶点识别，虚拟筛选

摘要: The target based drug design approaches are a series of computational procedures, including visualization tools, to support the decision systems of drug design/discovery process. In the essence of biological targets shaping the potential lead/drug molecules, this review presents a comprehensive position of different components of target based drug design which include target identification, protein modeling, molecular dynamics simulations, binding/catalytic sites identification, docking, virtual screening, fragment based strategies, substructure treatment of targets in tackling drug resistance, in silico ADMET, structural vaccinology, etc along with the key issues involved therein and some well investigated case studies. The concepts and working of these procedures are critically discussed to arouse interest and to advance the drug research.

Cite this article as:

Saroj Verma and Yenamandra S. Prabhakar , Target Based Drug Design - A Reality in Virtual Sphere, Current Medicinal Chemistry 2015; 22 (13) . https://dx.doi.org/10.2174/0929867322666150209151209