FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3046751623> ?p ?o ?g. }

• W3046751623 endingPage "107350" @default.
• W3046751623 startingPage "107350" @default.
• W3046751623 abstract "Mycotic keratitis is a fungal infection of corneal epithelium. It is more common in tropical and subtropical countries and is one of the leading causes of blindness. Many of the antifungal drugs have been less effective in treating this condition and certain drugs which are efficient and yet limited in use due to its extreme side effects. Hence, in this study an attempt is made to identify potential and least toxic antifungal inhibitors that targets thiamine thiazole synthase, a novel target for suppressing Fusarium solani subsp.pisi (Nectria haematococca MPVI) infections, to combat mycotic keratitis. Integrative computational approaches involving model refinement, molecular dynamics simulation and High throughput virtual screening (HTVS) were applied through integrative multi precision mode in order to identify potential inhibitors. Moreover, machine learning approach was also implemented to prioritize potential inhibitors that are ophthalmic adaptive, as well as antifungal molecule. From the NCI and Maybridge datasets, for HTVS only 209,872 compounds that surpassed ligand property filtration were considered, which resulted in 209 compounds after XP docking. Among the top 5 compounds from XP docking, on cumulative analysis only 2-(1-hydroxyethyl)-1,3-thiazole-4-carboxamide was prioritized as the most potential hit, as it showed higher order of significance in terms of binding affinity, structural stability and therapeutic relevance for the treatment of Mycotic keratitis. Thus, widening the scope for novel antifungal therapy in ophthalmic infections." @default.
• W3046751623 created "2020-08-07" @default.
• W3046751623 creator A5011168248 @default.
• W3046751623 creator A5037046574 @default.
• W3046751623 creator A5077785645 @default.
• W3046751623 date "2020-10-01" @default.
• W3046751623 modified "2023-10-17" @default.
• W3046751623 title "Deciphering potential inhibitors targeting THI4 of Fusarium solani sp. to combat fungal keratitis: An integrative computational approach" @default.
• W3046751623 cites W1607931568 @default.
• W3046751623 cites W1965517743 @default.
• W3046751623 cites W1975037094 @default.
• W3046751623 cites W1985588649 @default.
• W3046751623 cites W1986191025 @default.
• W3046751623 cites W1996963133 @default.
• W3046751623 cites W2003932708 @default.
• W3046751623 cites W2010729352 @default.
• W3046751623 cites W2019570916 @default.
• W3046751623 cites W2029281605 @default.
• W3046751623 cites W2032817710 @default.
• W3046751623 cites W2041189078 @default.
• W3046751623 cites W2050027039 @default.
• W3046751623 cites W2058128566 @default.
• W3046751623 cites W2064185190 @default.
• W3046751623 cites W2069181705 @default.
• W3046751623 cites W2077606253 @default.
• W3046751623 cites W2079953901 @default.
• W3046751623 cites W2080899182 @default.
• W3046751623 cites W2082008181 @default.
• W3046751623 cites W2082729015 @default.
• W3046751623 cites W2087432613 @default.
• W3046751623 cites W2100561975 @default.
• W3046751623 cites W2128474182 @default.
• W3046751623 cites W2135810623 @default.
• W3046751623 cites W2140247386 @default.
• W3046751623 cites W2149846968 @default.
• W3046751623 cites W2297075820 @default.
• W3046751623 cites W2808023097 @default.
• W3046751623 cites W2898001051 @default.
• W3046751623 cites W2921104942 @default.
• W3046751623 cites W2999392806 @default.
• W3046751623 doi "https://doi.org/10.1016/j.compbiolchem.2020.107350" @default.
• W3046751623 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/32771961" @default.
• W3046751623 hasPublicationYear "2020" @default.
• W3046751623 type Work @default.
• W3046751623 sameAs 3046751623 @default.
• W3046751623 citedByCount "3" @default.
• W3046751623 countsByYear W30467516232021 @default.
• W3046751623 countsByYear W30467516232022 @default.
• W3046751623 crossrefType "journal-article" @default.
• W3046751623 hasAuthorship W3046751623A5011168248 @default.
• W3046751623 hasAuthorship W3046751623A5037046574 @default.
• W3046751623 hasAuthorship W3046751623A5077785645 @default.
• W3046751623 hasConcept C103697762 @default.
• W3046751623 hasConcept C119767625 @default.
• W3046751623 hasConcept C159110408 @default.
• W3046751623 hasConcept C2776079991 @default.
• W3046751623 hasConcept C2778342517 @default.
• W3046751623 hasConcept C2778560704 @default.
• W3046751623 hasConcept C2779548794 @default.
• W3046751623 hasConcept C2780929884 @default.
• W3046751623 hasConcept C41685203 @default.
• W3046751623 hasConcept C54355233 @default.
• W3046751623 hasConcept C60644358 @default.
• W3046751623 hasConcept C70721500 @default.
• W3046751623 hasConcept C71924100 @default.
• W3046751623 hasConcept C74187038 @default.
• W3046751623 hasConcept C86803240 @default.
• W3046751623 hasConcept C89423630 @default.
• W3046751623 hasConcept C98274493 @default.
• W3046751623 hasConceptScore W3046751623C103697762 @default.
• W3046751623 hasConceptScore W3046751623C119767625 @default.
• W3046751623 hasConceptScore W3046751623C159110408 @default.
• W3046751623 hasConceptScore W3046751623C2776079991 @default.
• W3046751623 hasConceptScore W3046751623C2778342517 @default.
• W3046751623 hasConceptScore W3046751623C2778560704 @default.
• W3046751623 hasConceptScore W3046751623C2779548794 @default.
• W3046751623 hasConceptScore W3046751623C2780929884 @default.
• W3046751623 hasConceptScore W3046751623C41685203 @default.
• W3046751623 hasConceptScore W3046751623C54355233 @default.
• W3046751623 hasConceptScore W3046751623C60644358 @default.
• W3046751623 hasConceptScore W3046751623C70721500 @default.
• W3046751623 hasConceptScore W3046751623C71924100 @default.
• W3046751623 hasConceptScore W3046751623C74187038 @default.
• W3046751623 hasConceptScore W3046751623C86803240 @default.
• W3046751623 hasConceptScore W3046751623C89423630 @default.
• W3046751623 hasConceptScore W3046751623C98274493 @default.
• W3046751623 hasLocation W30467516231 @default.
• W3046751623 hasOpenAccess W3046751623 @default.
• W3046751623 hasPrimaryLocation W30467516231 @default.
• W3046751623 hasRelatedWork W1018702626 @default.
• W3046751623 hasRelatedWork W2030429539 @default.
• W3046751623 hasRelatedWork W2051285645 @default.
• W3046751623 hasRelatedWork W2315730225 @default.
• W3046751623 hasRelatedWork W2383518906 @default.
• W3046751623 hasRelatedWork W2384385200 @default.
• W3046751623 hasRelatedWork W3031538890 @default.
• W3046751623 hasRelatedWork W3046751623 @default.
• W3046751623 hasRelatedWork W3136042120 @default.

• next