Research Journal of Pharmacy and Technology

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Molecular Docking Studies of Potential Anticancer Agents from Ocimum basilicum L. against Human Colorectal Cancer Regulating Genes:An insilico Approach


Affiliations
1 Department of Biotechnology, Periyar Maniammai Institute of Science and Technology, Thanjavur – 613403, India
2 Tan Bio R and D Solution, Periyar Technology Business Incubator, Vallam, Thanjavur – 613403, Tamilnadu, India
3 Department of Bioinformatics, School of Chemical and Biotechnology, SASTRA University, Thanjavur – 613 401, Tamilnadu, India
     

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Colorectal cancer (CRC) ranks third in cancer deaths all over the world. Mortality and incidence rates of CRC in India is constantly increasing due to change in food habits, life style etc., Ocimum basilicum has been reported for constituents like eugenol, germacrene, gurjunene, menthol and β-elemene with anticancer properties. As an initiative, these chemical constituents were studied against human colorectal biomarkers such as KRAS, NRAS, BRAF (Oncogenes); PIK3CA, P53, DCC (Tumor suppressor genes) through molecular docking. Autodock 4.2 software was used to understand the drug-biomolecular interactions; binding mechanism of drug (ligand) and receptor (target); binding energy and bond length. The mutant type proteins of these markers were analyzed with specific to their expression codons against these O. basilicum constituents. Our results revealed that constituents of O. basilicum have excellent binding energies against colorectal cancer genes.

Keywords

Colorectal Cancer, Regulating, Oncogene, Tumor Suppressor Gene, Biomarkers, Molecular Docking.
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  • Molecular Docking Studies of Potential Anticancer Agents from Ocimum basilicum L. against Human Colorectal Cancer Regulating Genes:An insilico Approach

Abstract Views: 335  |  PDF Views: 0

Authors

Balakrishnan Purushothaman
Department of Biotechnology, Periyar Maniammai Institute of Science and Technology, Thanjavur – 613403, India
Nagarasan Suganthi
Tan Bio R and D Solution, Periyar Technology Business Incubator, Vallam, Thanjavur – 613403, Tamilnadu, India
Arunachalam Jothi
Department of Bioinformatics, School of Chemical and Biotechnology, SASTRA University, Thanjavur – 613 401, Tamilnadu, India
Kumaran Shanmugam
Department of Biotechnology, Periyar Maniammai Institute of Science and Technology, Thanjavur – 613403, India

Abstract


Colorectal cancer (CRC) ranks third in cancer deaths all over the world. Mortality and incidence rates of CRC in India is constantly increasing due to change in food habits, life style etc., Ocimum basilicum has been reported for constituents like eugenol, germacrene, gurjunene, menthol and β-elemene with anticancer properties. As an initiative, these chemical constituents were studied against human colorectal biomarkers such as KRAS, NRAS, BRAF (Oncogenes); PIK3CA, P53, DCC (Tumor suppressor genes) through molecular docking. Autodock 4.2 software was used to understand the drug-biomolecular interactions; binding mechanism of drug (ligand) and receptor (target); binding energy and bond length. The mutant type proteins of these markers were analyzed with specific to their expression codons against these O. basilicum constituents. Our results revealed that constituents of O. basilicum have excellent binding energies against colorectal cancer genes.

Keywords


Colorectal Cancer, Regulating, Oncogene, Tumor Suppressor Gene, Biomarkers, Molecular Docking.

References