Matches in SemOpenAlex for { <https://semopenalex.org/work/W2077882304> ?p ?o ?g. }
Showing items 1 to 76 of
76
with 100 items per page.
- W2077882304 endingPage "113" @default.
- W2077882304 startingPage "107" @default.
- W2077882304 abstract "Progesterone (1), cholesterol (2), stigmasterol (3), ergosterol endoperoxide (4), sitosterol (5), betulin (6), fusidic acid (7), chondrilasterol (8), and ergosterol (9) have been evaluated against Mycobacterium tuberculosis H37Rv. The maximum antimycobacterial activity seemed to depend on hydrophobicity and the type of substituents on the phytyl moiety on steroidal backbone. The variation in activity was rationalized using quantitative structure-activity relationship (QSAR) models based on several molecular descriptors including van der Waals surface area (VDW(A)), van der Waals volume (VDW(v)), polarizability, dipole moment, logP, and the differences between the Highest Occupied Molecular Orbital and the Lowest Unoccupied Molecular Orbital (HOMO-LUMO gap). The proposed QSAR models could be developed to predict the antimycobacterial activity of structurally similar steroids and to create a priority list for testing so that time, money, and effort can be focused on the potentially most promising steroids. The implications of QSAR data for the rational design of new antituberculosis agents are discussed. Because mycobacteria degrade steroids to progesterone-type compounds, unambiguous assignments of the high-field proton (1H) and carbon-13 (13C) NMR data of progesterone (1) were achieved through a combination of modern one- and two-dimensional (2D) NMR techniques." @default.
- W2077882304 created "2016-06-24" @default.
- W2077882304 creator A5062118163 @default.
- W2077882304 creator A5081902879 @default.
- W2077882304 date "2002-01-01" @default.
- W2077882304 modified "2023-10-16" @default.
- W2077882304 title "Relationships between Molecular Properties and Antimycobacterial Activities of Steroids" @default.
- W2077882304 doi "https://doi.org/10.1080/10575630290020000" @default.
- W2077882304 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/11990426" @default.
- W2077882304 hasPublicationYear "2002" @default.
- W2077882304 type Work @default.
- W2077882304 sameAs 2077882304 @default.
- W2077882304 citedByCount "20" @default.
- W2077882304 countsByYear W20778823042012 @default.
- W2077882304 countsByYear W20778823042014 @default.
- W2077882304 countsByYear W20778823042015 @default.
- W2077882304 countsByYear W20778823042018 @default.
- W2077882304 crossrefType "journal-article" @default.
- W2077882304 hasAuthorship W2077882304A5062118163 @default.
- W2077882304 hasAuthorship W2077882304A5081902879 @default.
- W2077882304 hasConcept C139287275 @default.
- W2077882304 hasConcept C14158195 @default.
- W2077882304 hasConcept C142724271 @default.
- W2077882304 hasConcept C147597530 @default.
- W2077882304 hasConcept C163111631 @default.
- W2077882304 hasConcept C164126121 @default.
- W2077882304 hasConcept C178790620 @default.
- W2077882304 hasConcept C185592680 @default.
- W2077882304 hasConcept C2776568683 @default.
- W2077882304 hasConcept C2777975735 @default.
- W2077882304 hasConcept C2778016309 @default.
- W2077882304 hasConcept C2779685592 @default.
- W2077882304 hasConcept C2781069245 @default.
- W2077882304 hasConcept C32909587 @default.
- W2077882304 hasConcept C43617362 @default.
- W2077882304 hasConcept C71240020 @default.
- W2077882304 hasConcept C71924100 @default.
- W2077882304 hasConceptScore W2077882304C139287275 @default.
- W2077882304 hasConceptScore W2077882304C14158195 @default.
- W2077882304 hasConceptScore W2077882304C142724271 @default.
- W2077882304 hasConceptScore W2077882304C147597530 @default.
- W2077882304 hasConceptScore W2077882304C163111631 @default.
- W2077882304 hasConceptScore W2077882304C164126121 @default.
- W2077882304 hasConceptScore W2077882304C178790620 @default.
- W2077882304 hasConceptScore W2077882304C185592680 @default.
- W2077882304 hasConceptScore W2077882304C2776568683 @default.
- W2077882304 hasConceptScore W2077882304C2777975735 @default.
- W2077882304 hasConceptScore W2077882304C2778016309 @default.
- W2077882304 hasConceptScore W2077882304C2779685592 @default.
- W2077882304 hasConceptScore W2077882304C2781069245 @default.
- W2077882304 hasConceptScore W2077882304C32909587 @default.
- W2077882304 hasConceptScore W2077882304C43617362 @default.
- W2077882304 hasConceptScore W2077882304C71240020 @default.
- W2077882304 hasConceptScore W2077882304C71924100 @default.
- W2077882304 hasIssue "2" @default.
- W2077882304 hasLocation W20778823041 @default.
- W2077882304 hasLocation W20778823042 @default.
- W2077882304 hasOpenAccess W2077882304 @default.
- W2077882304 hasPrimaryLocation W20778823041 @default.
- W2077882304 hasRelatedWork W2013570577 @default.
- W2077882304 hasRelatedWork W2043738872 @default.
- W2077882304 hasRelatedWork W2077882304 @default.
- W2077882304 hasRelatedWork W2164186008 @default.
- W2077882304 hasRelatedWork W2352974991 @default.
- W2077882304 hasRelatedWork W2946062564 @default.
- W2077882304 hasRelatedWork W2952806785 @default.
- W2077882304 hasRelatedWork W3142654412 @default.
- W2077882304 hasRelatedWork W3178028420 @default.
- W2077882304 hasRelatedWork W3192117887 @default.
- W2077882304 hasVolume "16" @default.
- W2077882304 isParatext "false" @default.
- W2077882304 isRetracted "false" @default.
- W2077882304 magId "2077882304" @default.
- W2077882304 workType "article" @default.