A repository of COVID-19 related molecular dynamics simulations and utilisation in the context of nsp10-nsp16 antivirals
Abstract The coronavirus disease 2019 (COVID-19) pandemic highlighted the importance of
establishing systems and infrastructure to develop vaccines, antiviral drugs, and therapeutic …
establishing systems and infrastructure to develop vaccines, antiviral drugs, and therapeutic …
Identification of Potential Modulators of a Pathogenic G Protein-Gated Inwardly Rectifying K+ Channel 4 Mutant: In Silico Investigation in the Context of Drug …
E Pitsillou, ANO Logothetis, JJ Liang, A El-Osta… - Molecules, 2023 - mdpi.com
Genetic abnormalities have been associated with primary aldosteronism, a major cause of
secondary hypertension. This includes mutations in the KCNJ5 gene, which encodes G …
secondary hypertension. This includes mutations in the KCNJ5 gene, which encodes G …
Design, synthesis, molecular docking, DFT analysis, dynamics simulation and cytotoxicity evaluation of coumarin derivatives as acetylcholinesterase (AChE) inhibitors …
S Rai, VK Singh, I Ahmad, M Agrawal… - Journal of Molecular …, 2025 - Elsevier
A new series of coumarin carboxamide derivatives has been synthesized as probable
acetylcholine esterase (AChE) inhibitors against alzheimer's disease. The physicochemical …
acetylcholine esterase (AChE) inhibitors against alzheimer's disease. The physicochemical …
[HTML][HTML] Utilization of the EpiMed Coronabank Chemical Collection to identify potential SARS-CoV-2 antivirals: in silico studies targeting the nsp14 ExoN domain and …
JJ Liang, E Pitsillou, HLY Lau, CP Mccubbery… - Journal of Molecular …, 2024 - Elsevier
The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) genome encodes 29
proteins including four structural, 16 nonstructural (nsps), and nine accessory proteins …
proteins including four structural, 16 nonstructural (nsps), and nine accessory proteins …