Cargando…
In silico study to identify novel potential thiadiazole-based molecules as anti-Covid-19 candidates by hierarchical virtual screening and molecular dynamics simulations
In the present study, a new category of 1,3,4-thiadiazoles was developed by submitting methyl 2-(4-hydroxy-3-methoxybenzylidene) hydrazine-1-carbodithioate to react with the appropriate hydrazonoyl halides in presence of few drops of diisopropyl ethyl amine. The chemical structures of the newly synt...
Autores principales: | Rashdan, Huda R. M., Abdelmonsef, Aboubakr H. |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer US
2022
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9198413/ https://www.ncbi.nlm.nih.gov/pubmed/35729938 http://dx.doi.org/10.1007/s11224-022-01985-1 |
Ejemplares similares
-
Homology Modeling and Virtual Screening Studies of Antigen MLAA-42 Protein: Identification of Novel Drug Candidates against Leukemia—An In Silico Approach
por: Shehadi, Ihsan A., et al.
Publicado: (2020) -
Synthesis, Molecular Docking Studies and In Silico ADMET Screening of New Heterocycles Linked Thiazole Conjugates as Potent Anti-Hepatic Cancer Agents
por: Rashdan, Huda R. M., et al.
Publicado: (2021) -
Synthesis, Molecular Docking Screening and Anti-Proliferative Potency Evaluation of Some New Imidazo[2,1-b]Thiazole Linked Thiadiazole Conjugates
por: Rashdan, Huda R. M., et al.
Publicado: (2020) -
Cyclization of
Chalcone Derivatives: Design, Synthesis, In Silico Docking Study, and Biological Evaluation of New
Quinazolin-2,4-diones Incorporating Five-, Six-, and
Seven-Membered Ring Moieties as Potent Antibacterial Inhibitors
por: El-Naggar, Mohamed, et al.
Publicado: (2023) -
Antimicrobial Potency and E. coli β-Carbonic Anhydrase Inhibition Efficacy of Phenazone-Based Molecules
por: Rashdan, Huda R. M., et al.
Publicado: (2023)