A review: FDA-approved fluorine-containing small molecules from 2015 to 2022
N Sheikhi, M Bahraminejad, M Saeedi… - European Journal of …, 2023 - Elsevier
Fluorine-containing small molecules have occupied an especial position in drug discovery
research. The successful clinical use of fluorinated corticosteroids in the 1950s and …
research. The successful clinical use of fluorinated corticosteroids in the 1950s and …
Beyond the approved: target sites and inhibitors of bacterial RNA polymerase from bacteria and fungi
Covering: 2016 to 2022 RNA polymerase (RNAP) is the central enzyme in bacterial gene
expression representing an attractive and validated target for antibiotics. Two well-known …
expression representing an attractive and validated target for antibiotics. Two well-known …
Machine learning and network medicine approaches for drug repositioning for COVID-19
We present two machine learning approaches for drug repurposing. While we have
developed them for COVID-19, they are disease-agnostic. The two methodologies are …
developed them for COVID-19, they are disease-agnostic. The two methodologies are …
Drug repurposing for Mpox: Discovery of small molecules as potential inhibitors against DNA‐dependent RNA polymerase using molecular modeling approach
Mpox (formerly Monkeypox), a zoonotic illness caused by the Mpox virus, belongs to the
Orthopoxvirus genus in the family Poxviridae. To design and develop effective antiviral …
Orthopoxvirus genus in the family Poxviridae. To design and develop effective antiviral …
Multimodal representation learning for predicting molecule–disease relations
Motivation Predicting molecule–disease indications and side effects is important for drug
development and pharmacovigilance. Comprehensively mining molecule–molecule …
development and pharmacovigilance. Comprehensively mining molecule–molecule …
Inhibition potencies of phytochemicals derived from sesame against SARS-CoV-2 main protease: a molecular docking and simulation study
The ongoing COVID-19 pandemic, caused by SARS-CoV-2, has now spread across the
nations with high mortality rates and multifaceted impact on human life. The proper treatment …
nations with high mortality rates and multifaceted impact on human life. The proper treatment …
Repurposing of antimycobacterium drugs for COVID-19 treatment by targeting SARS CoV-2 main protease: An in-silico perspective
A Chakraborty, R Ghosh, SS Mohapatra, S Barik… - Gene, 2024 - Elsevier
The global mortality rate has been significantly impacted by the COVID-19 pandemic,
caused by the SARS CoV-2 virus. Although the pursuit for a potent antiviral is still in …
caused by the SARS CoV-2 virus. Although the pursuit for a potent antiviral is still in …
Potential of Natural Alkaloids From Jadwar (Delphinium denudatum) as Inhibitors Against Main Protease of COVID-19: A Molecular Modeling Approach
A Kumar, M Sharma, CD Richardson… - Frontiers in Molecular …, 2022 - frontiersin.org
The ongoing pandemic coronavirus disease (COVID-19) caused by a novel corona virus,
namely, severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), has had a major …
namely, severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), has had a major …
Fluorine in the Pharmaceutical Industry: Synthetic Approaches and Application of Clinically Approved Fluorine-Enriched Anti-Infectious Medications
ZX Niu, J Hu, JF Sun, YT Wang - European Journal of Medicinal Chemistry, 2024 - Elsevier
The strategic integration of fluorine atoms into anti-infectious agents has become a
cornerstone in the field of medicinal chemistry, owing to the unique influence of fluorine on …
cornerstone in the field of medicinal chemistry, owing to the unique influence of fluorine on …
Computer-aided discovery, design, and investigation of COVID-19 therapeutics
Abstract Coronavirus disease 2019 (COVID-19) pandemic is currently the most serious
public health threat faced by mankind. Thus, the severe acute respiratory syndrome …
public health threat faced by mankind. Thus, the severe acute respiratory syndrome …