Use of computer in drug design and drug discovery: A review

Authors

  • Md Mofizur Rahman Department of Pharmacy, Bangladesh University, Dhaka
  • Md Rezaul Karim Department of Pharmacy, Manarat International University, Dhaka
  • Md Qamrul Ahsan Department of Pharmacy, Southern University
  • Abul Bashar Ripon Khalipha Department of Pharmacy, Bangladesh University, Dhaka
  • Mohammed Raihan Chowdhury Department of Pharmacy, University of Asia pacific, Dhaka
  • Md Saifuzzaman Department of Pharmacy, Khulna University, Dhaka

DOI:

https://doi.org/10.3329/ijpls.v1i2.12955

Keywords:

computer drug design

Abstract

Drug design through computer, a recent, very effective technique in modern arena. Now a days Computer Aided Drug Design (CADD) technologies are used in nanotechnology, molecular biology, biochemistry etc. The main benefit of the CADD is cost effective in research and development of drugs. There are wide ranges of software are used in CADD, Grid computing, window based general PBPK/PD modeling software, PKUDDS for structure based drug design,APIS, JAVA, Perl and Python, CADD as well as software including software libraries. There are different techniques used in CADD visualization, homology, molecular dynamic, energy minimization molecular docking, QSAR etc. Computer aided drug design is applicable in Cancer disease, transportation of drug to specific site in body, data collections and storages of organics and biologicals. Conformational properties and energetics of small molecules and DNA cleavage, molecular diagnostics based on fluorescences are focusing using this technique.

DOI: http://dx.doi.org/10.3329/ijpls.v1i2.12955

International Journal of Pharmaceutical and Life Sciences Vol.1(2) 2012

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Published

2012-12-14

How to Cite

Rahman, M. M., Karim, M. R., Ahsan, M. Q., Khalipha, A. B. R., Chowdhury, M. R., & Saifuzzaman, M. (2012). Use of computer in drug design and drug discovery: A review. International Journal of Pharmaceutical and Life Sciences, 1(2). https://doi.org/10.3329/ijpls.v1i2.12955

Issue

Vol. 1 No. 2 (2012)

Section

Research Articles