Molecular docking analysis of CDK-1 inhibitors from Chrysophyllum cainito leaves |
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| Authors: | Yesudass Antony Prabhu Praveen Kumar Kumar Shanmughavel Piramanayagam Muthu Vijaya Sarathy Samiappan Kavitha |
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| Affiliation: | 1.Department of Biochemistry, Rathnavel Subramaniam College of Arts and Science, Coimbatore - 641402, India;2.Department of Bioinformatics, Bharathiar University, Coimbatore - 641046, India;3.Department of Microbial Biotechnology, Bharathiar University, Coimbatore - 641046, India |
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| Abstract: | It is of interest to document the molecular docking analysis of Cyclin-dependent kinase 1 (CDK-1) inhibitors from Chrysophyllum cainito leaves towards the treatment of tumors using the known structure of PDB ID: 5HQ0. Data shows that molecules such as 8- (Dimethylamino)-7-(3-(4-ethylphenoxy)-2d, ethyl 6-oxo-5-propylheptanoate, 2,3-dihydro-3, 5-dihydroxy-6-methyl-4h-pyran-4-one, 1,2,3-benzenetriol and 1,4-benzenediol 2,5-bis (1,1-dimethylethyl) identified in methanolic extract of C. cainito have binding features with CDK1 for further consideration. |
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| Keywords: | CDK-1 Oral squamous cell carcinoma Chrysophyllum cainito Schrodinger |
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