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

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, eth...

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Autores principales: Antony Prabhu, Yesudass, Kumar, Praveen Kumar, Piramanayagam, Shanmughavel, Sarathy, Muthu Vijaya, Kavitha, Samiappan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2021
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8770403/
https://www.ncbi.nlm.nih.gov/pubmed/35095229
http://dx.doi.org/10.6026/97320630017550
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author Antony Prabhu, Yesudass
Kumar, Praveen Kumar
Piramanayagam, Shanmughavel
Sarathy, Muthu Vijaya
Kavitha, Samiappan
author_facet Antony Prabhu, Yesudass
Kumar, Praveen Kumar
Piramanayagam, Shanmughavel
Sarathy, Muthu Vijaya
Kavitha, Samiappan
author_sort Antony Prabhu, Yesudass
collection PubMed
description 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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spelling pubmed-87704032022-01-27 Molecular docking analysis of CDK-1 inhibitors from Chrysophyllum cainito leaves Antony Prabhu, Yesudass Kumar, Praveen Kumar Piramanayagam, Shanmughavel Sarathy, Muthu Vijaya Kavitha, Samiappan Bioinformation Research Article 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. Biomedical Informatics 2021-05-31 /pmc/articles/PMC8770403/ /pubmed/35095229 http://dx.doi.org/10.6026/97320630017550 Text en © 2021 Biomedical Informatics https://creativecommons.org/licenses/by/3.0/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.
spellingShingle Research Article
Antony Prabhu, Yesudass
Kumar, Praveen Kumar
Piramanayagam, Shanmughavel
Sarathy, Muthu Vijaya
Kavitha, Samiappan
Molecular docking analysis of CDK-1 inhibitors from Chrysophyllum cainito leaves
title Molecular docking analysis of CDK-1 inhibitors from Chrysophyllum cainito leaves
title_full Molecular docking analysis of CDK-1 inhibitors from Chrysophyllum cainito leaves
title_fullStr Molecular docking analysis of CDK-1 inhibitors from Chrysophyllum cainito leaves
title_full_unstemmed Molecular docking analysis of CDK-1 inhibitors from Chrysophyllum cainito leaves
title_short Molecular docking analysis of CDK-1 inhibitors from Chrysophyllum cainito leaves
title_sort molecular docking analysis of cdk-1 inhibitors from chrysophyllum cainito leaves
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8770403/
https://www.ncbi.nlm.nih.gov/pubmed/35095229
http://dx.doi.org/10.6026/97320630017550
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