Matches in SemOpenAlex for { <https://semopenalex.org/work/W4283033514> ?p ?o ?g. }
- W4283033514 endingPage "e0265068" @default.
- W4283033514 startingPage "e0265068" @default.
- W4283033514 abstract "A series of newer previously synthesized fluorinated chalcones and their 2-amino-pyridine-3-carbonitrile and 2-amino-4H-pyran-3-carbonitrile derivatives were screened for their in vitro antitubercular activity and in silico methods. Compound 40 (MIC~ 8 μM) was the most potent among all 60 compounds, whose potency is comparable with broad spectrum antibiotics like ciprofloxacin and streptomycin and three times more potent than pyrazinamide. Additionally, compound 40 was also less selective and hence non-toxic towards the human live cell lines-LO2 in its MTT assay. Compounds 30, 27, 50, 41, 51, and 60 have exhibited streptomycin like activity (MIC~16-18 μM). Fluorinated chalcones, pyridine and pyran derivatives were found to occupy prime position in thymidylate kinase enzymatic pockets in molecular docking studies. The molecule 40 being most potent had shown a binding energy of -9.67 Kcal/mol, while docking against thymidylate kinase, which was compared with its in vitro MIC value (~8 μM). These findings suggest that 2-aminopyridine-3-carbonitrile and 2-amino-4H-pyran-3-carbonitrile derivatives are prospective lead molecules for the development of novel antitubercular drugs." @default.
- W4283033514 created "2022-06-18" @default.
- W4283033514 creator A5002490741 @default.
- W4283033514 creator A5011125628 @default.
- W4283033514 creator A5021471993 @default.
- W4283033514 creator A5033627085 @default.
- W4283033514 creator A5040006278 @default.
- W4283033514 creator A5043174130 @default.
- W4283033514 creator A5074974503 @default.
- W4283033514 creator A5078546875 @default.
- W4283033514 date "2022-06-16" @default.
- W4283033514 modified "2023-10-18" @default.
- W4283033514 title "Antitubercular activity assessment of fluorinated chalcones, 2-aminopyridine-3-carbonitrile and 2-amino-4H-pyran-3-carbonitrile derivatives: In vitro, molecular docking and in-silico drug likeliness studies" @default.
- W4283033514 cites W1502481667 @default.
- W4283033514 cites W185098990 @default.
- W4283033514 cites W2033043158 @default.
- W4283033514 cites W2071541692 @default.
- W4283033514 cites W2075589757 @default.
- W4283033514 cites W2116087305 @default.
- W4283033514 cites W2140310496 @default.
- W4283033514 cites W2190308871 @default.
- W4283033514 cites W2264719596 @default.
- W4283033514 cites W2282418379 @default.
- W4283033514 cites W2515271283 @default.
- W4283033514 cites W2518999227 @default.
- W4283033514 cites W2523191142 @default.
- W4283033514 cites W2524047578 @default.
- W4283033514 cites W2580284375 @default.
- W4283033514 cites W2582921613 @default.
- W4283033514 cites W2613820968 @default.
- W4283033514 cites W2736814923 @default.
- W4283033514 cites W2754113952 @default.
- W4283033514 cites W2780042428 @default.
- W4283033514 cites W2792578312 @default.
- W4283033514 cites W2808223966 @default.
- W4283033514 cites W2810513806 @default.
- W4283033514 cites W2885660584 @default.
- W4283033514 cites W2897103518 @default.
- W4283033514 cites W2906819235 @default.
- W4283033514 cites W2909776205 @default.
- W4283033514 cites W2911315982 @default.
- W4283033514 cites W2921636259 @default.
- W4283033514 cites W2922384902 @default.
- W4283033514 cites W2967338551 @default.
- W4283033514 cites W3006096257 @default.
- W4283033514 cites W3037209659 @default.
- W4283033514 cites W3040634763 @default.
- W4283033514 cites W3041088514 @default.
- W4283033514 cites W3041347604 @default.
- W4283033514 cites W3043112953 @default.
- W4283033514 cites W3104754692 @default.
- W4283033514 cites W3110337991 @default.
- W4283033514 cites W3123334721 @default.
- W4283033514 cites W3126400748 @default.
- W4283033514 cites W3135710121 @default.
- W4283033514 cites W3161603527 @default.
- W4283033514 cites W4246243580 @default.
- W4283033514 doi "https://doi.org/10.1371/journal.pone.0265068" @default.
- W4283033514 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35709194" @default.
- W4283033514 hasPublicationYear "2022" @default.
- W4283033514 type Work @default.
- W4283033514 citedByCount "1" @default.
- W4283033514 countsByYear W42830335142023 @default.
- W4283033514 crossrefType "journal-article" @default.
- W4283033514 hasAuthorship W4283033514A5002490741 @default.
- W4283033514 hasAuthorship W4283033514A5011125628 @default.
- W4283033514 hasAuthorship W4283033514A5021471993 @default.
- W4283033514 hasAuthorship W4283033514A5033627085 @default.
- W4283033514 hasAuthorship W4283033514A5040006278 @default.
- W4283033514 hasAuthorship W4283033514A5043174130 @default.
- W4283033514 hasAuthorship W4283033514A5074974503 @default.
- W4283033514 hasAuthorship W4283033514A5078546875 @default.
- W4283033514 hasBestOaLocation W42830335141 @default.
- W4283033514 hasConcept C104317684 @default.
- W4283033514 hasConcept C123321153 @default.
- W4283033514 hasConcept C159110408 @default.
- W4283033514 hasConcept C185592680 @default.
- W4283033514 hasConcept C202751555 @default.
- W4283033514 hasConcept C21951064 @default.
- W4283033514 hasConcept C2775905019 @default.
- W4283033514 hasConcept C2776694085 @default.
- W4283033514 hasConcept C2777505907 @default.
- W4283033514 hasConcept C2780152424 @default.
- W4283033514 hasConcept C2780456651 @default.
- W4283033514 hasConcept C2780783641 @default.
- W4283033514 hasConcept C41685203 @default.
- W4283033514 hasConcept C54355233 @default.
- W4283033514 hasConcept C55493867 @default.
- W4283033514 hasConcept C71240020 @default.
- W4283033514 hasConcept C71924100 @default.
- W4283033514 hasConcept C86803240 @default.
- W4283033514 hasConceptScore W4283033514C104317684 @default.
- W4283033514 hasConceptScore W4283033514C123321153 @default.
- W4283033514 hasConceptScore W4283033514C159110408 @default.
- W4283033514 hasConceptScore W4283033514C185592680 @default.
- W4283033514 hasConceptScore W4283033514C202751555 @default.
- W4283033514 hasConceptScore W4283033514C21951064 @default.
- W4283033514 hasConceptScore W4283033514C2775905019 @default.