A multistage in silico study of natural potential inhibitors targeting SARS-CoV-2 main protease
Among a group of 310 natural antiviral natural metabolites, our team identified three
compounds as the most potent natural inhibitors against the SARS-CoV-2 main protease …
compounds as the most potent natural inhibitors against the SARS-CoV-2 main protease …
New quinoxaline-based VEGFR-2 inhibitors: Design, synthesis, and antiproliferative evaluation with in silico docking, ADMET, toxicity, and DFT studies
A new series of 3-methylquinoxaline-based derivatives having the same essential
pharmacophoric features as VEGFR-2 inhibitors have been synthesized and evaluated for …
pharmacophoric features as VEGFR-2 inhibitors have been synthesized and evaluated for …
In Silico Exploration of Potential Natural Inhibitors against SARS-Cov-2 nsp10
In continuation of our previous effort, different in silico selection methods were applied to
310 naturally isolated metabolites that exhibited antiviral potentialities before. The applied …
310 naturally isolated metabolites that exhibited antiviral potentialities before. The applied …
Esterification of sugars and polyphenols with fatty acids: Techniques, bioactivities, and applications
Biomolecules such as sugars and polyphenols are highly polar in nature owing to the
abundance of hydroxyl moieties. Although these are employed for several applications in …
abundance of hydroxyl moieties. Although these are employed for several applications in …
In Silico Screening of Semi-Synthesized Compounds as Potential Inhibitors for SARS-CoV-2 Papain-like Protease: Pharmacophoric Features, Molecular Docking …
Papain-like protease is an essential enzyme in the proteolytic processing required for the
replication of SARS-CoV-2. Accordingly, such an enzyme is an important target for the …
replication of SARS-CoV-2. Accordingly, such an enzyme is an important target for the …
Jusanin, a New Flavonoid from Artemisia commutata with an In Silico Inhibitory Potential against the SARS-CoV-2 Main Protease
YM Suleimen, RA Jose, RN Suleimen, C Arenz… - Molecules, 2022 - mdpi.com
A new flavonoid, Jusanin,(1) has been isolated from the aerial parts of Artemisia commutata.
The chemical structure of Jusanin has been elucidated using 1D, 2D NMR, and HR-Ms …
The chemical structure of Jusanin has been elucidated using 1D, 2D NMR, and HR-Ms …
In vitro antimicrobial, physicochemical, pharmacokinetics and molecular docking studies of benzoyl uridine esters against SARS-CoV-2 main protease
Different esters were found potential against microorganisms, and could be a better choice
to solve the multidrug resistant (MDR) pathogenic global issue due to their improved …
to solve the multidrug resistant (MDR) pathogenic global issue due to their improved …
Discovery of potential SARS-CoV-2 papain-like protease natural inhibitors employing a multi-phase in silico approach
As an extension of our research against COVID-19, a multiphase in silico approach was
applied in the selection of the three most common inhibitors (Glycyrrhizoflavone (76) …
applied in the selection of the three most common inhibitors (Glycyrrhizoflavone (76) …
Modified D-glucofuranoses as new black fungus protease inhibitors: Computational screening, docking, dynamics, and QSAR study
Notable antimicrobial functionality were found with different sugar esters which were also
reported to inhibit the multidrug resistant pathogens along with promising antimicrobial …
reported to inhibit the multidrug resistant pathogens along with promising antimicrobial …
Isolation and In Silico Inhibitory Potential against SARS-CoV-2 RNA Polymerase of the Rare Kaempferol 3-O-(6″-O-acetyl)-Glucoside from Calligonum tetrapterum
YM Suleimen, RA Jose, GK Mamytbekova… - Plants, 2022 - mdpi.com
The phytochemical constituents of Calligonum tetrapterum Jaub. & Spach (Family
Polygonaceae) were studied for the first time. The study resulted in the isolation of the rare …
Polygonaceae) were studied for the first time. The study resulted in the isolation of the rare …