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Ligand-based pharmacophore modeling and molecular dynamic simulation approaches to identify putative MMP-9 inhibitors

MMP-9 is a calcium-dependent zinc endopeptidase that plays a crucial role in various diseases and is a ubiquitous target for many classes of drugs. The availability of MMP-9 crystal structure in combination with aryl sulfonamide anthranilate hydroxamate inhibitor facilitates to accentuate the comput...

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Detalles Bibliográficos
Autores principales: Sanapalli, Bharat Kumar Reddy, Yele, Vidyasrilekha, Jupudi, Srikanth, Karri, Veera Venkata Satyanarayana Reddy
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9037691/
https://www.ncbi.nlm.nih.gov/pubmed/35480006
http://dx.doi.org/10.1039/d1ra03891e