In Silico Molecular Docking Analysis of Natural Pyridoacridines as Anticancer Agents | Zendy

Vikas Sharma | Zendy; Prabodh Chander Sharma | Zendy; Vipin Kumar | Zendy

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In Silico Molecular Docking Analysis of Natural Pyridoacridines as Anticancer Agents

Author(s) -

Vikas Sharma,

Prabodh Chander Sharma,

Vipin Kumar

Publication year - 2016

Publication title -

advances in chemistry

Language(s) - English

Resource type - Journals

eISSN - 2356-6612

pISSN - 2314-7571

DOI - 10.1155/2016/5409387

Subject(s) - docking (animal) , in silico , computational biology , chemistry , cyclin dependent kinase , macromolecule , biology , cell cycle , biochemistry , cell , medicine , nursing , gene

Docking studies are proved to be an essential tool that facilitates the structural diversity of natural products to be harnessed in an organized manner. In this study, pyridoacridines containing natural anticancer pigments were subjected to docking studies using Glide (Schrodinger). Investigations were carried out to find out the potential molecular targets for these selected pigments. The docking was carried out on different cancer macromolecules involved in different cell cycle pathways, that is, CDK-2, CDK-6, Bcl-2, VEGFR-2, IGF-1R kinase, and G-Quadruplexes. CDK-6 was found to be the most suitable anticancer target for the pyridoacridines. In addition, effectiveness of the study was further evaluated by performing docking of known inhibitors against their respective selected macromolecules. However, the results are preliminary and experimental evaluation will be carried out in near future

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