Potential inhibitory effect of indolizine derivatives on the two enzymes: nicotinamide phosphoribosyltransferase and beta lactamase, a molecular dynamics study
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-017-3363-3
Abstract: Nicotinamide phosphoribosyl-transferases (NAMPT) are enzymes that play a role in targeting cancer metabolism, while beta lactamases are involved in bacterial resistance to beta-lactam antibiotics. Many protein inhibitors exhibit such property which is often correlated with… read more here.
Keywords: molecular dynamics; indolizine derivatives; beta; potential inhibitory ... See more keywords
Machine learning approach to discovery of small molecules with potential inhibitory action against vasoactive metalloproteases.
Sign Up to like & getrecommendations! Published in 2021 at "Molecular diversity"
DOI: 10.1007/s11030-021-10260-0
Abstract: With the advancement of combinatorial chemistry and big data, drug repositioning has boomed. In this sense, machine learning and artificial intelligence techniques offer a priori information to identify the most promising candidates. In this study,… read more here.
Keywords: vasoactive metalloproteases; machine learning; learning approach; small molecules ... See more keywords
Potential Inhibitory Biomolecular Interactions of Natural Compounds With Different Molecular Targets of Diabetes
Sign Up to like & getrecommendations! Published in 2023 at "Bioinformatics and Biology Insights"
DOI: 10.1177/11779322231167970
Abstract: Type II diabetes is an endemic disease and is responsible for approximately 90% to 95% of diabetes cases. The pathophysiological distortions are majorly β-cell dysfunction, insulin resistance, and long-term inflammation, which all progressively unsettle the… read more here.
Keywords: biomolecular interactions; natural compounds; inhibitory biomolecular; potential inhibitory ... See more keywords