FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2014760593> ?p ?o ?g. }

• W2014760593 endingPage "480" @default.
• W2014760593 startingPage "469" @default.
• W2014760593 abstract "Cyclooxygenase -1 (COX-1) selective inhibitors are anticipated to be potential therapeutic agents for thrombosis, tumorigenesis, atherosclerosis, neuroprotection, and oxidative stress. In this study, a 3D-QSAR pharmacophore model was developed for potent and selective COX-1 inhibition based on 44 compounds from four different scaffolds using Phase, Schrödinger. One (hydrogen-bond) acceptor, one hydrophobic, and two aromatic sites (AHRR) contribute to COX-1 inhibitory activity. Test and decoy sets were used to corroborate the best hypothesis and the validated hypothesis was used to screen the SPECS database. The resultant hits were filtered by standard precision (SP) and extra precision (XP) modes of docking using Glide, Schrödinger which yielded five hits. Free energy calculations were carried out to quantify the affinity differences of the hits towards COX enzymes. These five hits were subjected to in vitro COX (ovine) inhibitory activity studies. The hits displayed potent COX-1 inhibitory activity and good selectivity versus COX-2 enzyme. The compounds also protected the nitric oxide (NO) induced cell death mediated by COX-1 in mouse macrophages cell line. Hence, we hypothesize that these compounds could be promising leads for the design of superior COX-1 inhibitors and insights gained from further exploration of the same could provide pertinent clues for the treatment of the conditions mentioned above." @default.
• W2014760593 created "2016-06-24" @default.
• W2014760593 creator A5025569244 @default.
• W2014760593 creator A5035823087 @default.
• W2014760593 creator A5078282147 @default.
• W2014760593 creator A5079210976 @default.
• W2014760593 date "2014-10-01" @default.
• W2014760593 modified "2023-10-18" @default.
• W2014760593 title "Discovery of potential and selective COX-1 inhibitory leads using pharmacophore modelling, in silico screening and in vitro evaluation" @default.
• W2014760593 cites W1571439140 @default.
• W2014760593 cites W1832498930 @default.
• W2014760593 cites W1965402626 @default.
• W2014760593 cites W1965653230 @default.
• W2014760593 cites W1980990431 @default.
• W2014760593 cites W1999491936 @default.
• W2014760593 cites W2003684583 @default.
• W2014760593 cites W2009507265 @default.
• W2014760593 cites W2009529127 @default.
• W2014760593 cites W2013777179 @default.
• W2014760593 cites W2014467756 @default.
• W2014760593 cites W2015101897 @default.
• W2014760593 cites W2016164007 @default.
• W2014760593 cites W2016556040 @default.
• W2014760593 cites W2019422308 @default.
• W2014760593 cites W2019727879 @default.
• W2014760593 cites W2019815534 @default.
• W2014760593 cites W2025264200 @default.
• W2014760593 cites W2030850720 @default.
• W2014760593 cites W2032817710 @default.
• W2014760593 cites W2037633994 @default.
• W2014760593 cites W2040040765 @default.
• W2014760593 cites W2047704857 @default.
• W2014760593 cites W2048143103 @default.
• W2014760593 cites W2063766169 @default.
• W2014760593 cites W2064604631 @default.
• W2014760593 cites W2065602760 @default.
• W2014760593 cites W2069506489 @default.
• W2014760593 cites W2092552830 @default.
• W2014760593 cites W2102368544 @default.
• W2014760593 cites W2102377211 @default.
• W2014760593 cites W2126661983 @default.
• W2014760593 cites W2127760066 @default.
• W2014760593 cites W2136431469 @default.
• W2014760593 cites W2145073071 @default.
• W2014760593 cites W2146306600 @default.
• W2014760593 cites W2149083834 @default.
• W2014760593 cites W2153465192 @default.
• W2014760593 cites W2156041177 @default.
• W2014760593 cites W2158960911 @default.
• W2014760593 cites W2161483856 @default.
• W2014760593 cites W2951100061 @default.
• W2014760593 cites W2951757604 @default.
• W2014760593 doi "https://doi.org/10.1016/j.ejmech.2014.09.005" @default.
• W2014760593 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/25203777" @default.
• W2014760593 hasPublicationYear "2014" @default.
• W2014760593 type Work @default.
• W2014760593 sameAs 2014760593 @default.
• W2014760593 citedByCount "16" @default.
• W2014760593 countsByYear W20147605932015 @default.
• W2014760593 countsByYear W20147605932016 @default.
• W2014760593 countsByYear W20147605932017 @default.
• W2014760593 countsByYear W20147605932018 @default.
• W2014760593 countsByYear W20147605932019 @default.
• W2014760593 countsByYear W20147605932020 @default.
• W2014760593 countsByYear W20147605932021 @default.
• W2014760593 countsByYear W20147605932023 @default.
• W2014760593 crossrefType "journal-article" @default.
• W2014760593 hasAuthorship W2014760593A5025569244 @default.
• W2014760593 hasAuthorship W2014760593A5035823087 @default.
• W2014760593 hasAuthorship W2014760593A5078282147 @default.
• W2014760593 hasAuthorship W2014760593A5079210976 @default.
• W2014760593 hasConcept C103697762 @default.
• W2014760593 hasConcept C104317684 @default.
• W2014760593 hasConcept C159110408 @default.
• W2014760593 hasConcept C164126121 @default.
• W2014760593 hasConcept C169760540 @default.
• W2014760593 hasConcept C17077164 @default.
• W2014760593 hasConcept C181199279 @default.
• W2014760593 hasConcept C185592680 @default.
• W2014760593 hasConcept C202751555 @default.
• W2014760593 hasConcept C25498285 @default.
• W2014760593 hasConcept C2775905019 @default.
• W2014760593 hasConcept C41685203 @default.
• W2014760593 hasConcept C55493867 @default.
• W2014760593 hasConcept C56173144 @default.
• W2014760593 hasConcept C71240020 @default.
• W2014760593 hasConcept C71924100 @default.
• W2014760593 hasConcept C86803240 @default.
• W2014760593 hasConcept C98274493 @default.
• W2014760593 hasConceptScore W2014760593C103697762 @default.
• W2014760593 hasConceptScore W2014760593C104317684 @default.
• W2014760593 hasConceptScore W2014760593C159110408 @default.
• W2014760593 hasConceptScore W2014760593C164126121 @default.
• W2014760593 hasConceptScore W2014760593C169760540 @default.
• W2014760593 hasConceptScore W2014760593C17077164 @default.
• W2014760593 hasConceptScore W2014760593C181199279 @default.
• W2014760593 hasConceptScore W2014760593C185592680 @default.
• W2014760593 hasConceptScore W2014760593C202751555 @default.

• next