alexa 3beta-Methoxy Derivation of Withaferin-a Attenuates its
ISSN: 2167-0412

Medicinal & Aromatic Plants
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Research Article

3beta-Methoxy Derivation of Withaferin-a Attenuates its Anticancer Potency: Bioinformatics and Molecular Evidences

Huang C1,2, Vaishnavi K3, Kalra RS1, Zhang Z2, Sekar K3*, Kaul SC1* and Wadhwa R1*
1Drug Discovery and Assets Innovation Lab, DBT-AIST International Laboratory for Advanced Biomedicine (DAILAB), National Institute of Advanced Industrial Science& Technology (AIST), Tsukuba, Ibaraki 305-8562, Japan
2Graduate School of Life & Environmental Sciences, University of Tsukuba, Japan
3Indian Institute of Science (IISc), Bangalore, India
Corresponding Authors : Kaul SC, Wadhwa R
National Institute of Advanced Industrial Science
& Technology, Central 4, 1-1-1 Higashi
Tsukuba, Ibaraki 305-8562, Japan
Tel: 81-29-861-6713
Fax: 81-29-861-2900
E-mail: [email protected]; [email protected]
  K. Sekar
Supercomputer Education and Research Centre
Indian Institute of Science, Bangalore 560012, India
Tel: 91-80-22933059
Fax: 91-80-23600085
E-mail: [email protected]
Received November 17, 2015; Accepted November 23, 2015; Published November 27, 2015
Citation: Huang C, Vaishnavi K, Kalra RS, Zhang Z, Sekar K, et al. (2015) 3β-Methoxy Derivation of Withaferin-a Attenuates its Anticancer Potency: Bioinformatics and Molecular Evidences. Med Aromat Plants 4:219. doi:10.4172/2167-0412.1000219
Copyright: © 2015 Huang C, et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
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Abstract

Withaferin A (Wi-A), a potent anticancer withanolide extracted from Withania somnifera- a tropical medicinal plant, was earlier shown to activate p53 tumor suppressor and oxidative stress pathways in cancer cells causing either growth arrest or apoptosis. In view of the information that alkyl derivatives of several bioactive steroidal compounds exhibit improved stability and activity through mechanisms that have not been completely understood, we investigated the effect of Withaferin A and its methoxy-derivative (2,3-dihydro-3- methoxy-Withaferin A) on human cancer cells to analyze the molecular interactions and efficacy. Systematic bioinformatics and molecular experimental approaches comprising expression analysis and imaging techniques were employed to demonstrate the interactions of Withaferin A and 3β-methoxy Withaferin A with their molecular targets. We demonstrate that 3β-methoxy derivation of Withaferin A possess weaker docking potential to its molecular targets and therefore possess attenuated anticancer activity as compared to Withaferin A, and was affirmed by a number of biochemical and in vitro experiments. Based on the Bioinformatics and experimental data we report that the 3β-methoxy derivation of Withaferin A attenuates its anticancer activities, and hence sufficient care is warranted in the use of these phytochemicals as anticancer reagents.

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