CFP last date
20 December 2024
Reseach Article

Computer Aided Drug Design: A Promising Approach for Drug Discovery

Published on September 2016 by Sharma B., Sharma S.
National Conference on Advances in Computing Applications
Foundation of Computer Science USA
NCACA2016 - Number 1
September 2016
Authors: Sharma B., Sharma S.
e7f7adf6-5302-4fd6-bff7-ec0ea986e2a2

Sharma B., Sharma S. . Computer Aided Drug Design: A Promising Approach for Drug Discovery. National Conference on Advances in Computing Applications. NCACA2016, 1 (September 2016), 1-3.

@article{
author = { Sharma B., Sharma S. },
title = { Computer Aided Drug Design: A Promising Approach for Drug Discovery },
journal = { National Conference on Advances in Computing Applications },
issue_date = { September 2016 },
volume = { NCACA2016 },
number = { 1 },
month = { September },
year = { 2016 },
issn = 0975-8887,
pages = { 1-3 },
numpages = 3,
url = { /proceedings/ncaca2016/number1/26164-1031/ },
publisher = {Foundation of Computer Science (FCS), NY, USA},
address = {New York, USA}
}
%0 Proceeding Article
%1 National Conference on Advances in Computing Applications
%A Sharma B.
%A Sharma S.
%T Computer Aided Drug Design: A Promising Approach for Drug Discovery
%J National Conference on Advances in Computing Applications
%@ 0975-8887
%V NCACA2016
%N 1
%P 1-3
%D 2016
%I International Journal of Computer Applications
Abstract

In the field of pharmaceutical sciences, the drug discovery is an interdisciplinary approach by which new potential drug candidates are discovered. Traditionally, new drug molecules were discovered through identifying the active principles from natural sources or by serendipitous discovery. But it was time consuming and expensive. As a result, in the last few years there has been a technological switch in the methodology of drug design from synthetic approach to new computer-aided drug design (CADD) methods that expedite the drug discovery process and generate more accurate, viable lead compounds. In CADD process so many computational tools are used such as over viewing tools, homology modelling, and homology modelling programs, molecular dynamics, molecular docking and QSAR descriptors. The objective of this review article is to shed light on the role of computer aided drug design in drug discovery process.

References
  1. Bharath, E. N. , S. N Manjula, A. Vijaychand, 2011: In Silico Drug Design Tool For Overcoming The Innovation Deficit In The Drug Discovery Process. International Journal of Pharmacy and Pharmaceutical Sciences, Vol 3, Issue 2,.
  2. Choudhary L. K. , Shukla A. , Zade S. , Charde R. , 2011: (C. A. D. D. ) - A New - Modern Software Based Approach In Drug Design And Discovery. IJPC1
  3. , 10?20.
  4. Jorgensen, W. L. (2004): The many roles of computation in drug discovery. Science 303, 813–1818.
  5. Kapetanovic IM. 2008:Computer-aided drug discovery and development (CADDD): in silico-chemico-biological approach. Chem Biol Interact. ; 171: 165- 176.
  6. Luis Fernando Saraiva Macedo Timmers et al. 2009: Molecularmodeling, dynamics and docking studies of Purine Nucleoside Phosphorylase from Streptococcus Pyogenes Biophysical Chemistry 142, 7–16. Perdo and Hui lei, 2010. A systematic review on CADD: Docking and Scoring. JMPI. Page 47-51.
  7. Perun T J, Propst C L. 1989: Computer-aided drug design: methods and applications. Marcel Dekker, INC. , New York, USA. : 2-15.
  8. Pramo dkumar P Gupta, 2014: Computer Aided Drug Design and Discovery - An Economical Approach to Drug Discovery Industry. Austin J Biotechnol Bioeng. (4): 2.
  9. Pranita P. Kore, Madhavi M. Mutha, Rishikesh V. Antre, Rajesh J. Oswal, Sandip S. Kshirsagar, 2012: Computer-Aided Drug Design: An Innovative Tool for Modelling. Open Journal of Medicinal Chemistry, 2, 139-148.
  10. Qian Yang et al. 2008: Modelling the binding modes of Kv1. 5 potassium channel and blockers Journal of Molecular Graphics and Modelling 27, 178–187.
  11. Rahman, M. M. , Md. Rezaul Karim, Md. Qamrul Ahsan, Abul Bashar Ripon Khalipha, Mohammed Raihan Chowdhury and Md Saifuzzaman, September 2012. Volume 1, Issue 2, Serial 5. D
  12. Werner J. Geldenhuys et al. 2006: Optimizing the use of open-source software applications in drug discovery, Volume 11, Number 3/4 February.
Index Terms

Computer Science
Information Sciences

Keywords

Lead Compounds Homology Modelling Molecular Docking Qsar Descriptors.