NDLI: Network pharmacology-based virtual screening of natural products from Clerodendrum species for identification of novel anti-cancer therapeutics

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Molecular BioSystems Vol - 13 Issue - 1

Molecular BioSystems Vol -12

Molecular BioSystems Vol -9

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Molecular BioSystems Vol -7

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Molecular BioSystems Vol -2

Network pharmacology-based virtual screening of natural products from Clerodendrum species for identification of novel anti-cancer therapeutics

Content Provider	Royal Society of Chemistry (RSC)
Author	Gogoi, Barbi Gogoi, Dhrubajyoti Silla, Yumnam Bhau, Brijmohan Singh Kakoti, Bibhuti Bhushan
Copyright Year	2017
Abstract	Plant-derived natural products (NPs) play a vital role in the discovery of new drug molecules and these are used for development of novel therapeutic drugs for a specific disease target. Literature review suggests that natural products possess strong inhibitory efficacy against various types of cancer cells. Clerodendrum indicum and Clerodendrum serratum are reported to have anticancer activity; therefore a study was carried out to identify selective anticancer agents from these plants species. In this report, we employed a docking weighted network pharmacological approach to understand the multi-therapeutics potentiality of C. indicum and C. serratum against various types of cancer. A library of 53 natural products derived from these plants was compiled from the literature and three dimensional space analyses were performed in order to establish the drug-likeness of the NPs library. Further, an NPs–cancer network was built based on docking. We predicted five compounds, namely apigenin 7-glucoside, hispidulin, scutellarein-7-O-beta-D-glucuronate, acteoside and verbascoside, to be potential binding therapeutics for cancer target proteins. Apigenin 7-glucoside and hispidulin were found to have maximum binding interactions (relationship) with 17 cancer drug targets in terms of docking weighted network pharmacological analysis. Hence, we used an integrative approach obtained from network pharmacology for identifying combinatorial drug actions against the cancer targets. We believe that our present study may provide important clues for finding novel drug inhibitors for cancer.
Starting Page	406
Ending Page	416
Page Count	11
File Format	HTM / HTML PDF
ISSN	1742206X
Volume Number	13
Issue Number	2
Journal	Molecular BioSystems
DOI	10.1039/c6mb00807k
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Open
Subject Keyword	Apigenin Glucoside Literature review Hispidulin Pharmacology Library Verbascoside Cancer Clerodendrum Scutellarein
Content Type	Text
Resource Type	Article
Subject	Molecular Biology Biotechnology

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