In silico identification of apobec3b small molecule inhibitors from dtp-nci libraries

In silico identification of apobec3b small molecule inhibitors from dtp-nci libraries

Objective: APOBEC3B (A3B) enzyme causes C-to-T or C-to-G somatic alteration in the cancer genome, leading to the evolution of a broad spectrum of human cancers. The present study aims to identify A3B small molecule inhibitors using a top-down approach via pharmacoinformatic virtual screening. Method...

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Bibliographic Details
Main Authors: Adenan, M.I (Author), Jusril, N.A (Author), Kwok Wen, N.G (Author), Mohamed, M.M (Author)
Format: Article
Language:English
Published: Innovare Academics Sciences Pvt. Ltd 2021
Series:International Journal of Applied Pharmaceutics
Subjects:
alkyl group
amino acid
APOBEC3B
apolipoprotein B mRNA editing enzyme catalytic polypeptide 3B
Article
aurintricarboxylic acid
AutoDock-Vina
biochemical analysis
computer simulation
data visualization
database management system
development therapeutics program
DTP-NCI
enzyme inhibitor
Gold
hydrogen bond
hydrolase
ligand
molecular docking
Molecular docking
national health organization
nonhuman
nordracorubin
protein analysis
Protein Data Bank
protein interaction
protein structure
raloxifene
sigma factor
single stranded DNA
structure analysis
unclassified drug
X ray crystallography
zinc derivative
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