In-Silico Molecular Docking Analysis of Cancer Biomarkers with Bioactive Compounds of Tribulus terrestris
Journal Title: International Journal of Novel Trends in Pharmaceutical Sciences - Year 2013, Vol 3, Issue 5
Abstract
Currently, in the research scenario for cancer, the identification of anti-cancer drugs using immuno-modulatory proteins and other molecular agents to initiate apoptosis in cancer cells and to inhibit the signalling pathways of cancer biomarkers as a drug targeted therapy, for cancer cell proliferation assays by the researchers. In-Silico analysis is used to recognize anticancer compounds as a future prospective for In-Vitro and In-Vivo analysis. A large number of herbal remedies (e.g. garlic, mistletoe) are used by cancer patients for treating the cancer and/or reducing the toxicities of chemotherapeutic drugs. Some herbal medicines have shown potentially beneficial effects on cancer progression and may ameliorate chemotherapy-induced toxicities. Tribulus terrestris is mentioned in ancient Indian Ayurvedic medical texts dating back thousands of years. Tribulus terrestris has been widely used in the Ayurvedic system of medicine for the treatment of sexual dysfunction and various urinary disorders. The aim of the present study is to evaluate the interactions of some bioactive compounds of Tribulus terrestris for In-Silico anticancer analysis with cancer biomarkers as targets. The targeted biomarkers for analysis include NSE-Lung cancer, Follistatin-Prostrate cancer, GGT-Hepatocellular carcinoma, Human Prostasin-Ovarian cancer. GC-MS analysis of Tribulus terrestris whole plant methanol extract revealed the existence of the major compound like 3,7,11,15-tetramethylhexadec-2-en-1-ol, 1,2-Benzenedicarboxylic acid, disooctyl ester, 9,12,15-Octadecatrienoic acid, (z,z,z)-, 9,12-Octadecadienoic acid (z,z)-, Hexadecadienoic acid, ethyl ester, n-Hexadecadienoic acid, Octadecanoic acid, Phytol, α-Amyrin are chosen as ligands. Hence, by analyzing the minimum binding energy of the ligand binding complex with the receptors by docking analysis using AutoDock tools will show effective nature of inhibition of these receptors by the unique ligands. Based on the results low minimum binding energy ligands are identified and used as a future studies can be done for specific receptors docking.
Authors and Affiliations
K Gowri Shankar , Albin T. Fleming , R Vidhya , Sophy Nirmal
Keywords
Related Articles
- EP ID EP110061
- DOI -
- Views 84
- Downloads 0
Hepatoprotective activity of ethanolic extract of leaves of Soymida febrifuga A.Juss. on paracetamol induced liver toxicity in rats
The objective of this study was to investigate the hepatoprotective activity of ethanolic extract of Soymida febrifuga (EELSF) leaves against paracetamol induced hepatotoxicity in Albino wistar rats. The plant material w...
Phenol Biodegradation by Immobilized Cell of Pseudomonas sp
To day our aquatic environment facing very big problem such as water pollution. This is very challenge to Environmental Biotechnology. Phenol and its derivatives have long been recognized as some of the most persistent c...
A current view on new cancer drugs (2014-USFDA approved) over old drugs
Cancer is also known as a malignant tumor, is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Not all tumors are cancerous, benign tumors do not sprea...
Climate change prediction and software tool and database development using JAVA Programming Language
Indian media can contribute to increased awareness of climate change and related issues. A qualitative analysis of some mainstream Indian newspapers (particularly opinion and editorial pieces) during the release of the I...
Identification of De Novo drug candidate for skin cancer using cheminformatics method
Since 2010, skin cancers result in 80,000 deaths a year, 49,000 of which are due to melanoma and 31,000 of which are due to non-melanoma skin cancers. In this paper, we focus on MCR1 protein which acts as a potential tar...