Investigation of Novel Chemical Inhibitors of Human Lysosomal Acid Lipase: Virtual Screening and Molecular Docking Studies

ISSN: 1875-5402 (Online)
ISSN: 1386-2073 (Print)


Volume 17, 10 Issues, 2014


Download PDF Flyer




Combinatorial Chemistry & High Throughput Screening

Aims & ScopeAbstracted/Indexed in

Ranking and Category:
  • 23rd of 71 in Chemistry, Applied
  • 47th of 75 in Biochemical Research Methods
  • 152th of 261 in Pharmacology & Pharmacy

Submit Abstracts Online Submit Manuscripts Online

Editor-in-Chief:
Rathnam Chaguturu
Deputy Site Head, Center for Advanced Drug Research
SRI International
VA 22802
USA


View Full Editorial Board

Subscribe Purchase Articles Order Reprints

Current: 2.0
5 - Year: 1.975

Investigation of Novel Chemical Inhibitors of Human Lysosomal Acid Lipase: Virtual Screening and Molecular Docking Studies

Author(s): Syed Sikander Azam, Sumra Wajid Abbasi and Shifa Tahir

Affiliation: National Center for Bioinformatics, Quaid-i-Azam University, Islamabad-45320, Pakistan.

Abstract

In the current study, identification of new potent small inhibitors of human lysosomal acid lipase using structure-based methods has been reported. Virtual Screening (VS), compounds from literature and molecular docking studies were employed to find the suitable inhibitors against lysosomal acid lipase (LAL). Specifically for this study a homology model of LipA enzyme was generated based on the structure of dog gastric lipase. As a result of structurebased virtual screening 28 inhibitors were identified from ZINC database. Rest of the inhibitors were selected from literature. Among the studied 65 inhibitors, compound having zinc ID ZINC15707335 exhibiting minimum binding affinity and hydrogen bond and hydrophobic interactions with specific amino acid residues was selected as lead compound.

Keywords: Homology modelling, lysosomal acid lipase, molecular docking, protein-ligand interaction, virtual screening.

Purchase Online Rights and Permissions

Article Details

Volume: 17
Issue Number: 5
First Page: 473
Last Page: 482
Page Count: 10
DOI: 10.2174/1386207317666140314093403
Advertisement

Related Journals




Webmaster Contact: urooj@benthamscience.org Copyright © 2014 Bentham Science