Theoretical calculations of molecular descriptors for anticancer activities of 1, 2, 3-triazole-pyrimidine derivatives against gastric cancer cell line (MGC-803): DFT, QSAR and docking approaches

This work used quantum chemical method via DFT to calculate molecular descriptors for the development of QSAR model to predict bioactivity (IC(50)- 50% inhibition concentration) of the selected 1, 2, 3-triazole-pyrimidine derivatives against receptor (human gastric cancer cell line, MGC-803). The se...

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Detalles Bibliográficos
Autores principales: Oyewole, Rhoda Oyeladun, Oyebamiji, Abel Kolawole, Semire, Banjo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7243141/
https://www.ncbi.nlm.nih.gov/pubmed/32462084
http://dx.doi.org/10.1016/j.heliyon.2020.e03926

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7243141/
https://www.ncbi.nlm.nih.gov/pubmed/32462084
http://dx.doi.org/10.1016/j.heliyon.2020.e03926

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