MOLECULAR DOCKING STUDIES OF CURCUMA LONGA AND ALOE VERA FOR THEIR POTENTIAL ANTICANCER EFFECTS


Parul Tripathi, Saad Sabir Siddiqui, Anju Sharma, Parul Johri, Aditi Singh

Abstract


 Objective: In this paper, docking study is presented to use these phytocompounds for their prospective role in various types of cancers.

Methods: A group of the different set of phytocompounds (aloesin, barbaloin, curcumin, and emodin) were taken and docked into the active sites of Topoisomerase I, a 91-kDa monomer (having 765 amino acids), is encoded by a single copy gene (Top 1) located on chromosome 20q12–13.2 using Autodock4 Software. The docking studies of the selected proteins were also docked to study the anticancerous property of the selected phytocompounds.

Result: These studies were based on binding energy, docking energy and other relevant scores that revealed emodin could be the potential lead molecule for the inhibition of signal potent for different types of cancer. Furthermore, the important residues for potential drug target were identified.

Conclusion: This paper is an initial step toward a rational design of novel selective and potent phytocompounds inhibitors for the treatment of deadly disease cancer.


Keywords


Anticancer, Docking, Phytocompounds.

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About this article

Title

MOLECULAR DOCKING STUDIES OF CURCUMA LONGA AND ALOE VERA FOR THEIR POTENTIAL ANTICANCER EFFECTS

Keywords

Anticancer, Docking, Phytocompounds.

DOI

10.22159/ajpcr.2018.v11i4.23995

Date

01-04-2018

Additional Links

Manuscript Submission

Journal

Asian Journal of Pharmaceutical and Clinical Research
Vol 11 Issue 4 April 2018 Page: 314-318

Print ISSN

0974-2441

Online ISSN

2455-3891

Statistics

31 Views | 87 Downloads

Authors & Affiliations

Parul Tripathi
Amity Institute of Biotechnology, Amity University Uttar Pradesh, Lucknow Campus, Malhaur, Gomti Nagar Extension, Lucknow – 226 028,Uttar Pradesh, India.
India

Saad Sabir Siddiqui
Amity Institute of Biotechnology, Amity University Uttar Pradesh, Lucknow Campus, Malhaur, Gomti Nagar Extension, Lucknow – 226 028,Uttar Pradesh, India.
India

Anju Sharma
Amity Institute of Biotechnology, Amity University Uttar Pradesh, Lucknow Campus, Malhaur, Gomti Nagar Extension, Lucknow – 226 028,Uttar Pradesh, India.
India

Parul Johri
Amity Institute of Biotechnology, Amity University Uttar Pradesh, Lucknow Campus, Malhaur, Gomti Nagar Extension, Lucknow – 226 028,Uttar Pradesh, India.
India

Aditi Singh
Amity Institute of Biotechnology, Amity University Uttar Pradesh, Lucknow Campus, Malhaur, Gomti Nagar Extension, Lucknow – 226 028,Uttar Pradesh, India.
India


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