Copyright 2024 The Science Publishers
All Rights Reserved for Website Design.
.png){kind=small}
ISSN 2410-955X - An International Biannual Journal
Molecular docking and virtual screening to discover novel CYP4B1 inhibitor
Fatima Noreen, Khansa Asad*, Soha Munaf, Nimra Asif, Maryam Ashraf, Najma Hameed, Muhammad Nouman Madni
Department of Bioinformatics and Biotechnology, Government College University Faisalabad, Pakistan
Abstract
Studies on Cytochrome p450 family B polypeptide 1(CYP4B1) so far unveiled a multiplex sketch of neurological proclaimed to be energetically related to cancer. The expression and localization of CYP4B1 in human are majority of neoplastic tissues, bladder and lungs specific tissue. The production of unassociated disease in human and rats were caused due to excretion of CYP4B1. The CYP4B1 isoforms personify an essential aspect in mutagenic stimulation in the bladder. CYP4B1 has interacting functional partner CYP20A1. The structure of CYP4B1 was not yet reported therefore, it was predicted through different structure prediction approaches. CYP4B1 analyzed and determined the protein-protein interaction analyses within the CYP20A1 and discovered possible interacting residues. The prediction of the prevailing binding mode of a protein with the ligand of selected 3D structure was assumed by docking. The molecular docking observed and revealed efficient results. The virtual screening was performed by utilizing FDA library of ZINC database against CYP4B1. The novel compound exhibits on the bases of affective binding affinity.
A R T I C L E I N F O
Received
March 30, 2020
Revised
May 06, 2020
Accepted
June 20, 2020
*Corresponding Author
Khansa Asad
E-mail
khansamalik194@gmail.com
Keywords
Lung cancer
Bladder cancer
Structure prediction
Protein-protein interaction
Docking analyses
Research article
2020 | Volume 6 | Issue 2: Special issue articles: Computational drug designing and molecular docking analyses