COMPUTATIONAL METHODS IN DRUG DISCOVERYAbstract
The efficiency of drug discovery and designing process can be increased by effective strategies given by computational methods. Drug designing is an intense, time consuming and an interdisciplinary venture. Traditionally, drugs were discovered by synthesizing compounds in a long-drawn-out and multi-step process. Recent studies have shown an increase in day by day demand of novel and more efficient drugs. Due to availability of low-cost computer power, the use of such computers has become a leading topic in medicinal chemistry. In search of potent drugs computational techniques like docking, homology modelling, pharmaco-phore modelling, are employed by researchers around the globe in order to achieve the goal. The main purpose of this document is to give a summary of drug design process and specifically the role of computational modelling techniques. These involve some techniques from binding sites prediction to high throughput screening of large compound libraries.
S. Gupta, A. Basu, A. Jaiswal and N. Mishra *
Department of Applied Sciences, Indian Institute of Information Technology Allahabad, Devghat, Jhalwa, Allahabad, Uttar Pradesh, India.
16 January, 2018
09 May, 2018
13 May, 2018
01 October, 2018