- Discovery ofthe First-In-Class HSD17B13/PPAR MultitargetModulators for the Treatment of Metabolic Dysfunction-Associated Steatohepatitis
2025/10/15 by Zhiling Liang, Lianru Chen, Zibin Liao +3 · 1 citation
Biochemistry, Genetics and Molecular Biology · Medicine · #ADME #Agonist #Diet, Metabolism, and Disease #Drug discovery #Liver Disease Diagnosis and Treatment #Metabolic disease #Pathological #Peroxisome Proliferator-Activated Receptors #Peroxisome proliferator-activated receptor #Pharmacokinetics #Pharmacophore #Steatohepatitis
- Revisiting the bioavailability of flavan-3-ols in humans: A systematic review and comprehensive data analysis
2022/10/04 by Giuseppe Di Pede, Pedro Mena, Letizia Bresciani +14 · 1 citation
Agricultural and Biological Sciences · Chemistry · Medicine · #ADME #Bioavailability #Biochemistry #Biology #Chemistry #Cmax #Fermentation and Sensory Analysis #Flavan #Food science #In vitro #Pharmacology #Phytochemicals and Antioxidant Activities #Stereochemistry #Tea Polyphenols and Effects #Urine
- Screening of natural compounds from Cyperus rotundus Linn against SARS-CoV-2 main protease (Mpro): An integrated computational approach
2021/05/29 by S. Birendra Kumar, Swati Krishna, Sneha Pradeep +5 · 9 citations
Agricultural and Biological Sciences · Chemistry · Computer Science · Medicine · Pharmacology, Toxicology and Pharmaceutics · #ADME #Antiretroviral therapy #Biochemistry #Biology #Chemistry #Computational Drug Discovery Methods #Computational biology #Cyperus rotundus #Docking (animal) #Drug discovery #Drug-Induced Hepatotoxicity and Protection #Enzyme #Essential Oils and Antimicrobial Activity #Gene #In silico #Integrase #Medicine #Pharmacokinetics #Pharmacology #Protease #Ritonavir #Traditional medicine #Veterinary medicine #Viral load #Virology #Virus
- QSAR modeling and pharmacoinformatics of SARS coronavirus 3C-like protease inhibitors
2021/05/11 by Ahmed Adebayo Ishola, Oluwaseye Adedirin, Tanuja Joshi +1 · 8 citations
Chemistry · Computer Science · Medicine · #ADME #Biochemistry #Biology #Chemistry #Computational Drug Discovery Methods #Computational biology #Coronavirus #Coronavirus disease 2019 (COVID-19) #Docking (animal) #Drug discovery #Enzyme #In silico #In vitro #Lipinski's rule of five #Medicine #Protease #Quantitative structure–activity relationship #Stereochemistry #Synthesis and biological activity #chEMBL #thermodynamics and calorimetric analyses
- Oral Bioavailability Comparison of Artemisinin, Deoxyartemisinin, and 10-Deoxoartemisinin Based on Computer Simulations and Pharmacokinetics in Rats
2020/12/28 by Chunqing Fu, Henan Shi, Chen Hong +3 · 1 citation
Medicine · Computer Science · Chemistry · #Malaria Research and Control #Computational Drug Discovery Methods #HIV/AIDS drug development and treatment #Artemisinin #Bioavailability #Pharmacokinetics #ADME #Chemistry #Artemisia annua #Pharmacology #Plasmodium falciparum #Medicine #Malaria
- In silico ADME/T modelling for rational drug design
2015/09/02 by Yulan Wang, Jing Xing, Yuan Xu +9 · 26 citations
Chemistry · Computer Science · Engineering · Medicine · #ADME #Analytical Chemistry and Chromatography #Biochemical engineering #Bioinformatics #Biology #Chemistry #Computational Drug Discovery Methods #Computational biology #Computer science #Drug #Drug design #Drug development #Drug discovery #Engineering #Free Radicals and Antioxidants #Identification (biology) #In silico #Medicine #Pharmacology #Risk analysis (engineering)