Title: Exploitation of in silico potential in prediction, validation and elucidation of mechanism of anti-angiogenesis by novel compounds: comparative correlation between wet lab and in silico data

Authors: Jamal M. Arif; M. Haris Siddiqui; Salman Akhtar; Othman A. Al-Sagair

Addresses: Department of Biochemistry, College of Medicine, University of Hail, P.O. Box 2440, Hail, KSA ' Department of Biotechnology, Microbiology and Bioinformatics, Integral University, Lucknow, 226026, India ' Department of Biotechnology, Microbiology and Bioinformatics, Integral University, Lucknow, 226026, India ' Dr. Othman A. Al-Sagair Vice Rector University of Hail, Hail P.O. Box 2440, Hail, KSA

Abstract: This study describes in silico validation of the wet lab data from aeroplysinin-1, curcumin and halofuginone using Autodock Tools 4.0. The inhibition patterns of the vascular endothelial cell differentiation and capillary tube formation mediated by anti-angiogenic growth factors from these test compounds were found quite comparable with the in silico results using angiogenic targets (EFGR, bFGF and VEGFR-1). Successful validation of the wet lab results of the selected angiogenic targets by in silico method has led to exploit the hidden potential of in silico tools in preliminary screening of the unknown compounds for anti-angiogenic potential in a cost-effective manner.

Keywords: wet lab data; in silico potential; angiogenesis; aeroplysinin-1; curcumin; halofuginone; Autodock Tools 4.0; VEGFR-1; EFGR; axitinib; vascular endothelial cell differentiation; capillary tube formation; screening; anti-angiogenic potential.

DOI: 10.1504/IJBRA.2013.054697

International Journal of Bioinformatics Research and Applications, 2013 Vol.9 No.4, pp.336 - 348

Received: 08 Jan 2011
Accepted: 30 Sep 2011
Published online: 18 Sep 2014 *

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