Tag: molecular docking

PEG-functionalized gold nanoparticles synthesised with Simarouba glauca leaf extract reduced HeLa cervical cancer cell viability to 49.96 percent at 30 ...

A combined computational and cell-based study identifies Tryptanthrin, a constituent of a traditional Chinese medicine gargle, as a candidate anti-inflammatory ...

A new review finds the volatile plant monoterpene linalool suppresses multiple cancer types through several molecular pathways, while nanoformulations may ...

A newly synthesized trifluoromethylpyrimidine-thiosemicarbazide compound showed stronger antimicrobial and antioxidant activity than potassium sorbate and vitamin C in roxburgh rose ...

A water extract of Hydrocotyle bonariensis leaf reduced fasting blood glucose by up to 66.4 percent in diabetic rats over ...

A computational study identified five natural compounds with strong predicted binding to the Rv1509-encoded DNA methyltransferase of Mycobacterium tuberculosis, supported ...

A retrospective cohort of 199 pulmonary mycosis patients on triazole antifungals identified baseline liver enzymes and immunocompromised status as risk ...

A computational pipeline filtered about 1,500 animal-derived antimicrobial peptides down to three candidates that dock strongly against the breast cancer ...

Chinese researchers report that β-cyclodextrin completely removed 2,4,5-trichlorophenol from spiked pickled cattle hide within five elution cycles while leaving the ...

Computer simulations rank two plant-derived molecules as the strongest binders to PPARγ and SGLT2 receptors linked to type 2 diabetes, ...

Soil fungus Aspergillus terreus MAK153 suppresses Fusarium oxysporum growth and zearalenone production while producing simvastatin, which docking simulations link to ...

Ziyuglycoside I, a compound from Sanguisorba officinalis L., accelerated wound closure in mice by activating GPR34 signaling in group 3 ...

Six new pyrazole semicarbazone derivatives were synthesized, characterized spectroscopically, analyzed by DFT calculations, and docked against three carbohydrate-metabolism enzymes, with ...

A computational study identified 57 shared and 19 myopia-specific atropine targets, linking inflammatory remodelling pathways to both myopia control and ...

An integrated in silico and in vitro study finds that clinically used fluorinated PSMA PET radiopharmaceuticals share a conserved binding ...

A comprehensive review of naloxone's chemistry, receptor pharmacology and clinical pharmacokinetics explains why the lifesaving opioid antagonist acts so quickly ...

A network pharmacology and rat study found that the traditional Chinese formula Zhizhu Decoction improved constipation-predominant IBS-like symptoms, intestinal barrier ...

A network meta-analysis ranked Saccharomyces cerevisiae fermentation products first among 22 interventions for increasing dry matter intake in cattle, with ...

Researchers authenticated Cissus quadrangularis L., isolated and structurally confirmed β-sitosterol, and used computational docking and ADMET predictions to flag it ...

Scientists engineered an HVEM-derived peptide that blocked about sixty percent of HSV-1 infection in cell tests without toxicity.