Cargando…
Dataset on the DFT-QSAR, and docking approaches for anticancer activities of 1, 2, 3-triazole-pyrimidine derivatives against human esophageal carcinoma (EC-109)
The investigation of the novel hybrid, 1, 2, 3-triazole moiety combined with pyrimidine derivatives against human esophageal carcinoma is an unexplored field of theoretical/computational chemistry. Also, the development of new drugs still remains a major challenge, cost-intensive and time-consuming,...
Autores principales: | Adegoke, Rhoda Oyeladun, Oyebamiji, Abel Kolawole, Semire, Banjo |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier
2020
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7365971/ https://www.ncbi.nlm.nih.gov/pubmed/32695851 http://dx.doi.org/10.1016/j.dib.2020.105963 |
Ejemplares similares
-
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
por: Oyewole, Rhoda Oyeladun, et al.
Publicado: (2020) -
Anti-gastric cancer activity of 1,2,3-triazolo[4,5-d]pyrimidine hybrids (1,2,3-TPH): QSAR and molecular docking approaches
por: Kolawole, Oyebamiji Abel, et al.
Publicado: (2020) -
Dataset on Insilico approaches for 3,4-dihydropyrimidin-2(1H)-one urea derivatives as efficient Staphylococcus aureus inhibitor
por: Oyebamiji, Abel Kolawole, et al.
Publicado: (2020) -
Dataset on in-silico investigation on triazole derivatives via molecular modelling approach: A potential glioblastoma inhibitors
por: Oyebamiji, Abel Kolawole, et al.
Publicado: (2020) -
Dataset on theoretical bio-evaluation of 1,2,4-thiadiazole-1,2,4-triazole analogues against epidermal growth factor receptor kinase down regulating human lung cancer
por: Oyebamiji, Abel Kolawole, et al.
Publicado: (2021)