Molecular docking analysis of pyruvate kinase M2 with a potential inhibitor from the ZINC database

The pyruvate kinase M2 isoform (PKM2) is linked with cancer. Therefore, it is of interest to document the molecular docking analysis of Pyruvate Kinase M2 (PDB ID: 4G1N) with potential activators from the ZINC database. Thus, we document the optimal molecular docking features of a compound having ID...

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Detalles Bibliográficos
Autores principales: Sharma, Pankaj, Singh, Manvender, Sharma, Sangeeta
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2021
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8340708/
https://www.ncbi.nlm.nih.gov/pubmed/34393429
http://dx.doi.org/10.6026/97320630017139
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author Sharma, Pankaj
Singh, Manvender
Sharma, Sangeeta
author_facet Sharma, Pankaj
Singh, Manvender
Sharma, Sangeeta
author_sort Sharma, Pankaj
collection PubMed
description The pyruvate kinase M2 isoform (PKM2) is linked with cancer. Therefore, it is of interest to document the molecular docking analysis of Pyruvate Kinase M2 (PDB ID: 4G1N) with potential activators from the ZINC database. Thus, we document the optimal molecular docking features of a compound having ID ZINC000034285235 with PKM2 for further consideration.
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spelling pubmed-83407082021-08-12 Molecular docking analysis of pyruvate kinase M2 with a potential inhibitor from the ZINC database Sharma, Pankaj Singh, Manvender Sharma, Sangeeta Bioinformation Research Article The pyruvate kinase M2 isoform (PKM2) is linked with cancer. Therefore, it is of interest to document the molecular docking analysis of Pyruvate Kinase M2 (PDB ID: 4G1N) with potential activators from the ZINC database. Thus, we document the optimal molecular docking features of a compound having ID ZINC000034285235 with PKM2 for further consideration. Biomedical Informatics 2021-01-31 /pmc/articles/PMC8340708/ /pubmed/34393429 http://dx.doi.org/10.6026/97320630017139 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
Sharma, Pankaj
Singh, Manvender
Sharma, Sangeeta
Molecular docking analysis of pyruvate kinase M2 with a potential inhibitor from the ZINC database
title Molecular docking analysis of pyruvate kinase M2 with a potential inhibitor from the ZINC database
title_full Molecular docking analysis of pyruvate kinase M2 with a potential inhibitor from the ZINC database
title_fullStr Molecular docking analysis of pyruvate kinase M2 with a potential inhibitor from the ZINC database
title_full_unstemmed Molecular docking analysis of pyruvate kinase M2 with a potential inhibitor from the ZINC database
title_short Molecular docking analysis of pyruvate kinase M2 with a potential inhibitor from the ZINC database
title_sort molecular docking analysis of pyruvate kinase m2 with a potential inhibitor from the zinc database
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8340708/
https://www.ncbi.nlm.nih.gov/pubmed/34393429
http://dx.doi.org/10.6026/97320630017139
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AT singhmanvender moleculardockinganalysisofpyruvatekinasem2withapotentialinhibitorfromthezincdatabase
AT sharmasangeeta moleculardockinganalysisofpyruvatekinasem2withapotentialinhibitorfromthezincdatabase

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