P39 Effects of metabolic modifications of green tea catechins on their ADME/Tox properties including binding to human serum albumin
Sign Up to like & getrecommendations! Published in 2017 at "Biochemical Pharmacology"
DOI: 10.1016/j.bcp.2017.06.040
Abstract: Green tea is the second most consumed beverage in the world. Its healthy effects are ascribed primarily to the following catechins, its polyphenolic components: (-)-epigallocatechin-3-O-gallate (EGCG); (-)-epigallocatechin (EGC); (-)-epicatechin-3-O-gallate (ECG); and (-)-epicatechin (EC). The present… read more here.
Keywords: green tea; tea catechins; human serum; adme tox ... See more keywords
Organs-on-a-chip: Current applications and consideration points for in vitro ADME-Tox studies.
Sign Up to like & getrecommendations! Published in 2018 at "Drug metabolism and pharmacokinetics"
DOI: 10.1016/j.dmpk.2018.01.003
Abstract: Assay systems using in vitro cultured cells are increasingly applied for evaluation of the efficacy, safety, and toxicity of drug candidates. In vitro cell-based assays have two main applications in the drug discovery process: searching for a… read more here.
Keywords: system; organs chip; drug; vitro adme ... See more keywords
In Vitro and In Silico ADME-Tox Profiling and Safety Significance of Multifunctional Monoamine Oxidase Inhibitors Targeting Neurodegenerative Diseases
Sign Up to like & getrecommendations! Published in 2020 at "ACS Chemical Neuroscience"
DOI: 10.1021/acschemneuro.0c00489
Abstract: Herein we report in vitro metabolic stability in human liver microsomes (HLMs), interactions with cytochrome P450 isoenzymes (CYP3A4, CYP2D6, and CYP2C9), and cytotoxicity analyses on HEK-293, HepG2, Huh7, and WTIIB cell lines of our most… read more here.
Keywords: tox profiling; safety significance; vitro silico; silico adme ... See more keywords
In Silico ADME/Tox Profiling of Natural Products: A Focus on BIOFACQUIM
Sign Up to like & getrecommendations! Published in 2020 at "ACS Omega"
DOI: 10.1021/acsomega.0c01581
Abstract: Natural products continue to be major sources of bioactive compounds and drug candidates not only because of their unique chemical structures but also because of their overall favorable metabolism and pharmacokinetic properties. The number of… read more here.
Keywords: natural products; adme tox; profile; silico adme ... See more keywords
Cyclohexane-1,3-dione Derivatives as Future Therapeutic Agents for NSCLC: QSAR Modeling, In Silico ADME-Tox Properties, and Structure-Based Drug Designing Approach
Sign Up to like & getrecommendations! Published in 2023 at "ACS Omega"
DOI: 10.1021/acsomega.2c07585
Abstract: The abnormal expression of the c-Met tyrosine kinase has been linked to the proliferation of several human cancer cell lines, including non-small-cell lung cancer (NSCLC). In this context, the identification of new c-Met inhibitors based… read more here.
Keywords: structure; qsar modeling; cyclohexane dione; adme tox ... See more keywords
The challenges of generalizability in artificial intelligence for ADME/Tox endpoint and activity prediction
Sign Up to like & getrecommendations! Published in 2021 at "Expert Opinion on Drug Discovery"
DOI: 10.1080/17460441.2021.1901685
Abstract: ABSTRACT Introduction Artificial intelligence (AI) has seen a massive resurgence in recent years with wide successes in computer vision, natural language processing, and games. The similar creation of robust and accurate AI models for ADME/Tox… read more here.
Keywords: drug; activity prediction; drug discovery; tox endpoint ... See more keywords
Virtual Screening, Molecular Dynamics and ADME-Tox Tools for Finding Potential Inhibitors of Phosphoglycerate Mutase 1 from Plasmodium falciparum.
Sign Up to like & getrecommendations! Published in 2018 at "Current topics in medicinal chemistry"
DOI: 10.2174/1568026618666181029144653
Abstract: BACKGROUND Nowadays, malaria is still one of the most important and lethal diseases worldwide, causing 445,000 deaths in a year. Due to the actual treatment resistance, there is an emergency to find new drugs. OBJECTIVE… read more here.
Keywords: virtual screening; potential inhibitors; inhibitors phosphoglycerate; phosphoglycerate mutase ... See more keywords