A combinatorial approach for the discovery of drug-like inhibitors of 15-lipoxygenase-1.
Sign Up to like & getrecommendations! Published in 2019 at "European journal of medicinal chemistry"
DOI: 10.1016/j.ejmech.2019.04.021
Abstract: Human 15-lipoxygenase-1 (15-LOX-1) is a mammalian lipoxygenase which plays an important regulatory role in several CNS and inflammatory lung diseases. To further explore the role of this enzyme in drug discovery, novel potent inhibitors with… read more here.
Keywords: discovery drug; chemistry; drug; approach discovery ... See more keywords
Machine-learning approach for discovery of conventional superconductors
Sign Up to like & getrecommendations! Published in 2022 at "Physical Review Materials"
DOI: 10.1103/physrevmaterials.7.054805
Abstract: First-principles computations are the driving force behind numerous discoveries of hydride-based superconductors, mostly at high pressures, during the last decade. Machine-learning (ML) approaches can further accelerate the future discoveries if their reliability can be improved.… read more here.
Keywords: pressure; approach discovery; machine learning; learning approach ... See more keywords
A Computer-Aided Approach for the Discovery of D-Peptides as Inhibitors of SARS-CoV-2 Main Protease
Sign Up to like & getrecommendations! Published in 2021 at "Frontiers in Molecular Biosciences"
DOI: 10.3389/fmolb.2021.816166
Abstract: The SARS-CoV-2 main protease, also known as 3-chymotrypsin-like protease (3CLpro), is a cysteine protease responsible for the cleavage of viral polyproteins pp1a and pp1ab, at least, at eleven conserved sites, which leads to the formation… read more here.
Keywords: sars cov; protease; cov main; approach ... See more keywords