FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4360872595> ?p ?o ?g. }

• W4360872595 abstract "The dormant phenotype of Mycobacterium tuberculosis that develops during infection poses a major challenge in disease treatment, since these bacilli show tolerance to front-line drugs. An in vitro hypoxia dormancy model was established, which produced phenotypically dormant Mycobacterium smegmatis after prolonged incubation under conditions of low oxygen, low pH, and nutrient limitation. Bacilli in this model displayed the classical dormancy characters, including loss of acid fastness, altered morphology, and, most importantly, tolerance to front-line drugs. The dormant form of M. smegmatis was treated with drugs and phytomolecules. Three phytomolecules exhibited activity against dormant bacilli, as shown by lack of regrowth in solid and liquid media. Further investigation of dormancy-active hits was carried out using in silico approaches to understand the druggable targets of these phytomolecules in dormant bacilli. For this study, molecular docking, molecular dynamics simulations (MDS), and molecular mechanics-generalized born solvent accessibility (MM-GBSA)-based binding energy (ΔGbind) calculations were performed. Five different targets, namely, isocitrate lyase (ICL), GMP synthase, LuxR, DosR, and serine/threonine protein kinase (STPK), from M. smegmatis and M. tuberculosis were studied in details. DosR and STPK were found to be the common targets in both the species that were more prone to the phytomolecules. The standard DosR inhibitor, HC104A, showed a lower dock score and binding energy of -4.27 and -34.50 kcal/mol, respectively, compared to the natural products under study. The phytomolecule, icariin, showed better docking score (dock score = -5.92 kcal/mol with and binding energy ΔGbind= -52.96 kcal/mol) with DosR compared to known DosR inhibitor, HC104A (dock score = -4.27 kcal/mol and binding energy ΔGbind = -34.50 kcal/mol). Similarly, the known STPK inhibitor MRCT67127 showed a lower dock score and binding energy of -4.25 and -29.43 kcal/mol, respectively, compared to the phytomolecule, icariin (dock score = -5.74 kcal/mol and ΔGbind= -43.41 kcal/mol). These compounds might ultimately lead to new therapeutics or may be useful as adjuvants to the first-line drugs to reduce the lengthy anti-TB therapy in the future." @default.
• W4360872595 created "2023-03-25" @default.
• W4360872595 creator A5000504868 @default.
• W4360872595 creator A5009943064 @default.
• W4360872595 creator A5030309063 @default.
• W4360872595 creator A5030484615 @default.
• W4360872595 creator A5041259605 @default.
• W4360872595 date "2023-03-24" @default.
• W4360872595 modified "2023-10-13" @default.
• W4360872595 title "Targeting dormant phenotype acquired mycobacteria using natural products by exploring its important targets: In vitro and in silico studies" @default.
• W4360872595 cites W1864461701 @default.
• W4360872595 cites W1977482735 @default.
• W4360872595 cites W1990240868 @default.
• W4360872595 cites W1997882784 @default.
• W4360872595 cites W2006539642 @default.
• W4360872595 cites W2015688756 @default.
• W4360872595 cites W2016520940 @default.
• W4360872595 cites W2023304660 @default.
• W4360872595 cites W2035149220 @default.
• W4360872595 cites W2038532826 @default.
• W4360872595 cites W2039590408 @default.
• W4360872595 cites W2043101124 @default.
• W4360872595 cites W2044212859 @default.
• W4360872595 cites W2056598304 @default.
• W4360872595 cites W2060079863 @default.
• W4360872595 cites W2065838297 @default.
• W4360872595 cites W2078663039 @default.
• W4360872595 cites W2083001302 @default.
• W4360872595 cites W2084171643 @default.
• W4360872595 cites W2086987219 @default.
• W4360872595 cites W2105638686 @default.
• W4360872595 cites W2110837175 @default.
• W4360872595 cites W2123084649 @default.
• W4360872595 cites W2127447446 @default.
• W4360872595 cites W2129957930 @default.
• W4360872595 cites W2156630451 @default.
• W4360872595 cites W2159614853 @default.
• W4360872595 cites W2164429494 @default.
• W4360872595 cites W2194856489 @default.
• W4360872595 cites W2273040868 @default.
• W4360872595 cites W2332712348 @default.
• W4360872595 cites W2404280981 @default.
• W4360872595 cites W2465121162 @default.
• W4360872595 cites W2493687423 @default.
• W4360872595 cites W2511294777 @default.
• W4360872595 cites W2512594817 @default.
• W4360872595 cites W2734651706 @default.
• W4360872595 cites W2754483802 @default.
• W4360872595 cites W2759416435 @default.
• W4360872595 cites W2768966201 @default.
• W4360872595 cites W2804822363 @default.
• W4360872595 cites W2891791233 @default.
• W4360872595 cites W2976346060 @default.
• W4360872595 cites W3002439257 @default.
• W4360872595 cites W3003433285 @default.
• W4360872595 cites W3006339989 @default.
• W4360872595 cites W3065492482 @default.
• W4360872595 cites W3177828909 @default.
• W4360872595 cites W3211795435 @default.
• W4360872595 cites W87413078 @default.
• W4360872595 doi "https://doi.org/10.3389/fcimb.2023.1111997" @default.
• W4360872595 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37033483" @default.
• W4360872595 hasPublicationYear "2023" @default.
• W4360872595 type Work @default.
• W4360872595 citedByCount "1" @default.
• W4360872595 crossrefType "journal-article" @default.
• W4360872595 hasAuthorship W4360872595A5000504868 @default.
• W4360872595 hasAuthorship W4360872595A5009943064 @default.
• W4360872595 hasAuthorship W4360872595A5030309063 @default.
• W4360872595 hasAuthorship W4360872595A5030484615 @default.
• W4360872595 hasAuthorship W4360872595A5041259605 @default.
• W4360872595 hasBestOaLocation W43608725951 @default.
• W4360872595 hasConcept C100701293 @default.
• W4360872595 hasConcept C104317684 @default.
• W4360872595 hasConcept C10679952 @default.
• W4360872595 hasConcept C127716648 @default.
• W4360872595 hasConcept C142724271 @default.
• W4360872595 hasConcept C159110408 @default.
• W4360872595 hasConcept C165267168 @default.
• W4360872595 hasConcept C181199279 @default.
• W4360872595 hasConcept C202751555 @default.
• W4360872595 hasConcept C2775905019 @default.
• W4360872595 hasConcept C2776336597 @default.
• W4360872595 hasConcept C2777204207 @default.
• W4360872595 hasConcept C2777975735 @default.
• W4360872595 hasConcept C2779685592 @default.
• W4360872595 hasConcept C2781069245 @default.
• W4360872595 hasConcept C3527866 @default.
• W4360872595 hasConcept C41685203 @default.
• W4360872595 hasConcept C55493867 @default.
• W4360872595 hasConcept C59822182 @default.
• W4360872595 hasConcept C71924100 @default.
• W4360872595 hasConcept C86803240 @default.
• W4360872595 hasConcept C89423630 @default.
• W4360872595 hasConceptScore W4360872595C100701293 @default.
• W4360872595 hasConceptScore W4360872595C104317684 @default.
• W4360872595 hasConceptScore W4360872595C10679952 @default.
• W4360872595 hasConceptScore W4360872595C127716648 @default.
• W4360872595 hasConceptScore W4360872595C142724271 @default.
• W4360872595 hasConceptScore W4360872595C159110408 @default.

• next