Results 301 to 310 of about 452,634 (352)

Staphylococcus aureus AgrA Modulators From South African Antimicrobial Plants

open access: yesChemistry &Biodiversity, EarlyView.
The study workflow utilized validated in silico [molecular docking, fingerprinting, pharmacokinetics prediction, molecular dynamics (MD) simulation, ligand‐protein contact maps] tools to bioprospect a wide variety of metabolites surveyed from South African plants with antimicrobial activities, and target them against the key S.
Christiana Eleojo Aruwa, Saheed Sabiu
wiley   +1 more source

Pharmacophore modeling, molecular docking and molecular dynamics simulation for screening and identifying anti-dengue phytocompounds

open access: gold, 2019
Jaykant Vora   +6 more
openalex   +2 more sources

Anxiolytic Effects of Indole Alkaloids From Rauvolfia ligustrina in Adult Zebrafish: Involvement of the GABAergic and 5‐HT Systems

open access: yesChemistry &Biodiversity, EarlyView.
ABSTRACT Benzodiazepines are widely used in the treatment of anxiety, but their use may be interrupted due to side effects. This study evaluated the indole alkaloids isocarapanaubine (indole alkaloid 1 [AIN1]) and 18‐β‐hydroxy‐3‐epi‐α‐yohimbine (indole alkaloid 2 [AIN2]), extracted from Rauvolfia ligustrina, in adult zebrafish.
Nádia Aguiar Portela Pinheiro   +10 more
wiley   +1 more source

The structure of viral cathepsin from Bombyx mori Nuclear Polyhedrosis Virus as a target against grasserie: docking and molecular dynamics simulations

open access: gold, 2019
Paulo Sérgio Alves Bueno   +5 more
openalex   +2 more sources

Pharmacokinetic Prediction and Cytotoxicity of New Quercetin Derivatives

open access: yesChemistry &Biodiversity, EarlyView.
ABSTRACT Quercetin (QUE) possesses various pharmacological properties; however, its low bioavailability and solubility hinder its beneficial effects. Enzymatic glycosylation has been explored to improve these aspects. In the present study, we used a sucrose phosphorylase variant to catalyze the regioselective transglucosylation of QUE, predicted the ...
Michele Goulart dos Santos   +8 more
wiley   +1 more source

Thymidine Phosphorylase Inhibitory Potential and Molecular Docking Studies of Secondary Metabolites Isolated From Fernandoa adenophylla (Wall. ex G. Don) Steenis

open access: yesChemistry &Biodiversity, EarlyView.
ABSTRACT This study investigates the potential of Fernandoa adenophylla, a South American plant, as a reservoir of compounds with thymidine phosphorylase (TP) inhibitory activity. Through a comprehensive approach combining in vitro assays and molecular docking analysis, we isolated and characterized bioactive compounds from F.
Abdur Rauf   +11 more
wiley   +1 more source

Rotenoids from the Roots of Vicia faba L. (Fabaceae): Structural Characterization, Cytotoxic Effects, and Molecular Docking

open access: yesChemistry &Biodiversity, EarlyView.
ABSTRACT The chemical study of the ethanolic extract from the roots of Vicia faba led to the isolation of two isoflavonoids, alfalone and 8‐O‐methylretusine, as well as a mixture of rotenoids, including clitoriacetal and clitoriacetal B, the latter of which is reported for the first time.
Victor Menezes Sipoloni   +8 more
wiley   +1 more source

Exploring the Stability and Substrate Profile of Transaminase from Silicibacter pomeroyi with Ancestral Sequence Reconstruction

open access: yesChemBioChem, EarlyView.
This study describes the successful identification of ancestral sequences N50 and N49, which have a longer half‐life of approximately four and two times the wild‐type Sp‐amine transaminase, respectively.. This approach effectively enhances the thermal stability of the transaminase.
Luyao Zhao   +4 more
wiley   +1 more source

Chromenone derivatives as CRM1 Inhibitors for Targeting Glioblastoma

open access: yesChemBioChem, Accepted Article.
Glioblastoma (GBM) is one of the most aggressive and deadly cancers. Due to the complexity and redundancy within signaling networks in GBM, targeted inhibitors of specific pathways have shown only limited success. The nuclear export receptor Chromosome Region Maintenance 1 (CRM1) has recently emerged as a promising therapeutic target, as its inhibition
Wolfgang Link   +10 more
wiley   +1 more source

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