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Insilico Analysis of Protein-Ligand Docking of DHFR ( Dihydro Folate Reductase) and Quassinoids

by R. D. Shailima Vardhini
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International Journal of Computer Applications
Foundation of Computer Science (FCS), NY, USA
Volume 62 - Number 12
Year of Publication: 2013
Authors: R. D. Shailima Vardhini
10.5120/10131-4919

R. D. Shailima Vardhini . Insilico Analysis of Protein-Ligand Docking of DHFR ( Dihydro Folate Reductase) and Quassinoids. International Journal of Computer Applications. 62, 12 ( January 2013), 14-19. DOI=10.5120/10131-4919

@article{ 10.5120/10131-4919,
author = { R. D. Shailima Vardhini },
title = { Insilico Analysis of Protein-Ligand Docking of DHFR ( Dihydro Folate Reductase) and Quassinoids },
journal = { International Journal of Computer Applications },
issue_date = { January 2013 },
volume = { 62 },
number = { 12 },
month = { January },
year = { 2013 },
issn = { 0975-8887 },
pages = { 14-19 },
numpages = {9},
url = { https://ijcaonline.org/archives/volume62/number12/10131-4919/ },
doi = { 10.5120/10131-4919 },
publisher = {Foundation of Computer Science (FCS), NY, USA},
address = {New York, USA}
}
%0 Journal Article
%1 2024-02-06T21:11:35.646215+05:30
%A R. D. Shailima Vardhini
%T Insilico Analysis of Protein-Ligand Docking of DHFR ( Dihydro Folate Reductase) and Quassinoids
%J International Journal of Computer Applications
%@ 0975-8887
%V 62
%N 12
%P 14-19
%D 2013
%I Foundation of Computer Science (FCS), NY, USA
Abstract

Quassinoids are the naturally available plant extracts which exhibit a wide range of biological activities , that include anti malarial, anti amoebic, anti tumor properties etc. The present experiment aims to exploit the antitumor properties of the quassinoids. 68 quassinoid analogues were designed and were docked with hDHFR (human dihydrofolate reductase) a potential cancer target. The docking results showed compound 33 to be the best ligand for DHFR.

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Index Terms

Computer Science
Information Sciences

Keywords

Quassinoids quassinoid ligands quassinoids analogues anti tumor DHFR

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