NOVEL IN SILICO APPROACH OF ANTICANCER ACTIVITY BY INHIBITING HEMOPEXIN PROTEINS WITH INDIGOFERA ASPALATHOIDESPLANT CONSTITUENTS AT ACTIVE SITE
Abstract
Objective: The aim of the study was to investigate the anti-cancer activity using the phytoconstituents of Indigofera aspalathoides.
Methods: The plant extract has been largely used as cell proliferation inhibitors. In this study, specific phytoconstituent has been targeted towards
matrix metalloproteinases (MMPs).
Results: MMPs are group of proteinases that are associated with cell invasion inhibition and also inhibit proliferation. The C-terminal domain of
MMPs mimics the serum protein hemopexin (HPX). According to various literatures, a reason for the failure of MMP as anti-cancer agent is the
presence of this HPX binding at the active site.
Conclusion: A novel approach was carried to inhibit this binding by Carotal, (-)-Spathulenol, Tau.-Cadinol proteins from the plant I. aspalathoides.
 Keywords: Hemopexin, Matrix metalloproteinase, Indigofera aspalathoides, Molecular docking, Carotal, (-)-Spathulenol, Tau.-Cadinol.
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References
Van den Steen PE, Van Aelst I, Hvidberg V, Piccard H, Fiten P,
Jacobsen C, et al. The hemopexin and O-glycosylated domains tune
gelatinase B/MMP-9 bioavailability via inhibition and binding to cargo
receptors. J Biol Chem 2006;281(27):18626-37.
Tudor P, Andrei N, Cristina D, Paul DS, Carmen E. Molecular docking on
recomposed versus crystallographic structures of Zn-Dependent enzymes
and their natural inhibitors. World Acade Sci Eng Technol 2010;4:8-24.
Sermakkani M, Thangapandian V. GC-MS analysis of Cassia italic leaf
methanol extract. Asian J Pharm Clin Res 2012;5(2):90-4.
Magrane M, Consortium U. UniProt Knowledgebase: A hub of
integrated protein data. Database (Oxford) 2011;2011:bar009.
Helen MB, John W, Zukang F, Gary G, Bhat TN, Helge W, et al. The
protein data bank. Nucleic Acid Res 2000;28(1):235-42.
Johnson M, Zaretskaya I, Raytselis Y, Merezhuk Y, McGinnis S,
Madden TL. NCBI BLAST: A better web interface. Nucleic Acids Res
;36(Web Server issue):W5-9.
Yue F, Shi J, Tang J. Simultaneous phylogeny reconstruction and multiple
sequence alignment. BMC Bioinformatics 2009;10 Suppl 1:S11.
Gasteiger E, Gattiker A, Hoogland C, Ivanyi I, Appel RD, Bairoch A.
ExPASy: The proteomics server for in-depth protein knowledge and
analysis. Nucleic Acids Res 2003;31(13):3784-8.
Kwok SC, Mant CT, Hodges RS. Importance of secondary structural
specificity determinants in protein folding: Insertion of a native beta-sheet
sequence into an alpha-helical coiled-coil. Protein Sci 2002;11(6):1519-31.
Ward BM, Moss B. Visualization of intracellular movement of vaccinia
virus virions containing a green fluorescent protein-B5R membrane
protein chimera. J Virol 2001;75:4802-13.
Congjin C, Zhangfa T, Dankui L, Yue L, Guoen Y, Mingfei LI.
Chemical composition and antimicrobial and DPPH scavenging
activity of essential oil of Toona sinensis (A. Juss.) Roem from China.
Bioresources 2014;9(3):5262-78.
Goddard TD, Huang CC, Ferrin TE. Software extensions to UCSF
chimera for interactive visualization of large molecular assemblies.
Structure 2005;13(3):473-82.
Lipinski CA, Lombardo F, Dominy BW, Feeney PJ. Experimental
and computational approaches to estimate solubility and permeability
in drug discovery and development settings. Adv Drug Deliv Rev
;46(1-3):3-26.
Lipinski CA. Lead - and drug-like compounds: The rule-of-five
revolution. Drug Discov Today Technol 2004;1(4):337-41.
Utomo DH, Widodo N, Rifa’i M. Identifications small molecules
inhibitor of p53-mortalin complex for cancer drug using virtual
screening. Bioinformation 2012;8(9):426-9.
UniProt Consortium. Update on activities at the Universal Protein
Resource (UniProt) in 2013. Nucleic Acids Res 2013;41:D43-7.
Jain E, Bairoch A, Duvaud S, Phan I, Redaschi N, Suzek BE, et al.
Infrastructure for the life sciences: Design and implementation of the
UniProt website. BMC Bioinformatics 2009;10:136.
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