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Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
Looking for SARS-CoV-2 therapeutics through computational approaches
M Vincenzi, FA Mercurio, M Leone - Current Medicinal Chemistry, 2023 - benthamdirect.com
Background: In the last few years, in silico tools, including drug repurposing coupled with
structure-based virtual screening, have been extensively employed to look for anti-COVID …
structure-based virtual screening, have been extensively employed to look for anti-COVID …
Potential phytochemical inhibitors of SARS-CoV-2 helicase Nsp13: A molecular docking and dynamic simulation study
Abstract The SARS-CoV-2 helicase Nsp13 is a promising target for develo** anti-COVID
drugs. In the present study, we have identified potential natural product inhibitors of SARS …
drugs. In the present study, we have identified potential natural product inhibitors of SARS …
Promising phytochemicals of traditional Himalayan medicinal plants against putative replication and transmission targets of SARS-CoV-2 by computational …
Background Identification and repurposing of therapeutic and preventive strategies against
COVID-19 are rapidly undergoing. Several medicinal plants from the Himalayan region have …
COVID-19 are rapidly undergoing. Several medicinal plants from the Himalayan region have …
[HTML][HTML] Discovery of potential antiviral compounds against hendra virus by targeting its receptor-binding protein (G) using computational approaches
Hendra virus (HeV) belongs to the paramyxoviridae family of viruses which is associated
with the respiratory distress, neurological illness, and potential fatality of the affected …
with the respiratory distress, neurological illness, and potential fatality of the affected …
Therapeutic potential of compounds targeting SARS-CoV-2 helicase
The economical and societal impact of COVID-19 has made the development of vaccines
and drugs to combat SARS-CoV-2 infection a priority. While the SARS-CoV-2 spike protein …
and drugs to combat SARS-CoV-2 infection a priority. While the SARS-CoV-2 spike protein …
[HTML][HTML] Potential COVID-19 therapies from computational repurposing of drugs and natural products against the SARS-CoV-2 helicase
Repurposing of existing drugs is a rapid way to find potential new treatments for SARS-CoV-
2. Here, we applied a virtual screening approach using Autodock Vina and molecular …
2. Here, we applied a virtual screening approach using Autodock Vina and molecular …
Analogs of NIH Molecular Probe ML283 Are Potent SARS-CoV-2 Helicase Inhibitors
The National Institutes of Health molecular probe ML283 was synthesized as a potent,
selective inhibitor of the helicase encoded by the hepatitis C virus. Because modeling with …
selective inhibitor of the helicase encoded by the hepatitis C virus. Because modeling with …
RNA helicases required for viral propagation in humans
JC Marecki, B Belachew, J Gao, KD Raney - The Enzymes, 2021 - Elsevier
RNA viruses cause many routine illnesses, such as the common cold and the flu. Recently,
more deadly diseases have emerged from this family of viruses. The hepatitis C virus has …
more deadly diseases have emerged from this family of viruses. The hepatitis C virus has …
Towards identification of therapeutics against multi-infections and cancers causing Propionibacterium acnes: Molecular modeling and dynamics simulation …
AA Aloliqi - Journal of Molecular Liquids, 2024 - Elsevier
Skin conditions related to Propionibacterium acnes are a noteworthy health concern
affecting millions globally. However, recent studies suggest that P. acne is also linked to …
affecting millions globally. However, recent studies suggest that P. acne is also linked to …