Molecular docking analysis of CDK-1 inhibitors from Chrysophyllum cainito leaves

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Title	*Molecular docking analysis of CDK-1 inhibitors from Chrysophyllum cainito* leaves**
Authors	Yesudass Antony Prabhu¹, Praveen Kumar Kumar², Shanmughavel Piramanayagam³, Muthu Vijaya Sarathy⁴, Samiappan Kavitha⁵
Affiliation	¹Department of Biochemistry, Rathnavel Subramaniam College of Arts and Science, Coimbatore - 641402, India; ²Department of Bioinformatics, Bharathiar University, Coimbatore - 641046, India; ³Department of Bioinformatics, Bharathiar University, Coimbatore - 641046, India; ⁴Department of Microbial Biotechnology, Bharathiar University, Coimbatore - 641046, India; ⁵Department of Biochemistry, Rathnavel Subramaniam College of Arts and Science, Coimbatore - 641402, India.
Email	*Corresponding author Email ID: skavitha@rvsgroup.com; Y. Antony Prabhu - Email ID: antonybiochemist@gmail.com
Article Type	Research Article
Date	Received April 25, 2021; Revised May 27, 2021; Accepted May 27, 2021, Published May 31, 2021
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.
Keywords	CDK-1; Oral squamous cell carcinoma; Chrysophyllum cainito; Schrodinger
Citation	Antony Prabhu et al. Bioinformation 17(5): 550-556 (2021)
Edited by	P Kangueane
ISSN	0973-2063
Publisher	Biomedical Informatics
License	This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.