Matches in SemOpenAlex for { <https://semopenalex.org/work/W3157535910> ?p ?o ?g. }
Showing items 1 to 81 of
81
with 100 items per page.
- W3157535910 endingPage "871" @default.
- W3157535910 startingPage "859" @default.
- W3157535910 abstract "Increased numbers of reported cases of Mycobacterium tuberculosis (Mtb) resistance to the generally used antibiotics demand to identify novel therapeutic entities for better control of Tuberculosis. Most of the Structure-based Drug Discovery (SBDD) works reported earlier had screened compounds against a single drug target to avoid any off-target binding and related complications. Because of the development of Multi-Drug Resistant and Extensively Drug-Resistant strains of Mtb and looking into the incurable pathologies, targeting the right drug target with a promising ligand data set will result in effective therapeutics. Simultaneously, traditional knowledge-based drugs have earned little success in developing anti-tuberculosis drugs in recent studies. Combining the right-target approach and traditional herbal knowledge base, this in silico drug discovery study was carried out where 1236 compounds from two plants, traditionally used for TB treatment, Camellia sinensis, Ginkgo biloba along with the antibacterial compounds of DrugBank Database have been screened against Pantothenate synthetase of Mtb, a well-known drug target for anti-TB therapeutics. Through this analytics, Epigallocatechin gallate (EGCG) of Camellia sinensis has been reported through in silico docking studies and subsequent Molecular Dynamics simulation, as a promising anti-TB candidate due to its affinity towards Pantothenate synthetase of Mtb. EGCG was subjected to ADME-Tox studies as well as 3D QSAR analysis for the detection of its drug-like properties and for the determination of IC50 value. The EGCG showed the IC 50 value at 1404 nM, which is quite promising for a plant-origin compound. The selected ligand, EGCG, due to its promising affinity towards Pantothenate synthetase of Mtb with high drug-like properties, justifies its selection as a potential anti-tuberculosis compound." @default.
- W3157535910 created "2021-05-10" @default.
- W3157535910 creator A5011030554 @default.
- W3157535910 creator A5046036177 @default.
- W3157535910 creator A5051574166 @default.
- W3157535910 creator A5056279874 @default.
- W3157535910 creator A5061289813 @default.
- W3157535910 date "2021-11-25" @default.
- W3157535910 modified "2023-09-26" @default.
- W3157535910 title "Identification of Active Phytochemical from Traditional Herbal Knowledge-base Targeting Pantothenate Synthetase for Anti-tuberculosis Therapy" @default.
- W3157535910 doi "https://doi.org/10.2174/1570180818666210421140331" @default.
- W3157535910 hasPublicationYear "2021" @default.
- W3157535910 type Work @default.
- W3157535910 sameAs 3157535910 @default.
- W3157535910 citedByCount "1" @default.
- W3157535910 countsByYear W31575359102023 @default.
- W3157535910 crossrefType "journal-article" @default.
- W3157535910 hasAuthorship W3157535910A5011030554 @default.
- W3157535910 hasAuthorship W3157535910A5046036177 @default.
- W3157535910 hasAuthorship W3157535910A5051574166 @default.
- W3157535910 hasAuthorship W3157535910A5056279874 @default.
- W3157535910 hasAuthorship W3157535910A5061289813 @default.
- W3157535910 hasConcept C104317684 @default.
- W3157535910 hasConcept C114851261 @default.
- W3157535910 hasConcept C142724271 @default.
- W3157535910 hasConcept C155261790 @default.
- W3157535910 hasConcept C159110408 @default.
- W3157535910 hasConcept C185592680 @default.
- W3157535910 hasConcept C2775905019 @default.
- W3157535910 hasConcept C2777975735 @default.
- W3157535910 hasConcept C2780035454 @default.
- W3157535910 hasConcept C2781069245 @default.
- W3157535910 hasConcept C41685203 @default.
- W3157535910 hasConcept C55493867 @default.
- W3157535910 hasConcept C556039675 @default.
- W3157535910 hasConcept C70721500 @default.
- W3157535910 hasConcept C71924100 @default.
- W3157535910 hasConcept C74187038 @default.
- W3157535910 hasConcept C86803240 @default.
- W3157535910 hasConcept C89423630 @default.
- W3157535910 hasConcept C98274493 @default.
- W3157535910 hasConceptScore W3157535910C104317684 @default.
- W3157535910 hasConceptScore W3157535910C114851261 @default.
- W3157535910 hasConceptScore W3157535910C142724271 @default.
- W3157535910 hasConceptScore W3157535910C155261790 @default.
- W3157535910 hasConceptScore W3157535910C159110408 @default.
- W3157535910 hasConceptScore W3157535910C185592680 @default.
- W3157535910 hasConceptScore W3157535910C2775905019 @default.
- W3157535910 hasConceptScore W3157535910C2777975735 @default.
- W3157535910 hasConceptScore W3157535910C2780035454 @default.
- W3157535910 hasConceptScore W3157535910C2781069245 @default.
- W3157535910 hasConceptScore W3157535910C41685203 @default.
- W3157535910 hasConceptScore W3157535910C55493867 @default.
- W3157535910 hasConceptScore W3157535910C556039675 @default.
- W3157535910 hasConceptScore W3157535910C70721500 @default.
- W3157535910 hasConceptScore W3157535910C71924100 @default.
- W3157535910 hasConceptScore W3157535910C74187038 @default.
- W3157535910 hasConceptScore W3157535910C86803240 @default.
- W3157535910 hasConceptScore W3157535910C89423630 @default.
- W3157535910 hasConceptScore W3157535910C98274493 @default.
- W3157535910 hasIssue "9" @default.
- W3157535910 hasLocation W31575359101 @default.
- W3157535910 hasOpenAccess W3157535910 @default.
- W3157535910 hasPrimaryLocation W31575359101 @default.
- W3157535910 hasRelatedWork W1536552954 @default.
- W3157535910 hasRelatedWork W1983144055 @default.
- W3157535910 hasRelatedWork W2003194288 @default.
- W3157535910 hasRelatedWork W2007349523 @default.
- W3157535910 hasRelatedWork W2123563726 @default.
- W3157535910 hasRelatedWork W2482736996 @default.
- W3157535910 hasRelatedWork W2981874894 @default.
- W3157535910 hasRelatedWork W3029116816 @default.
- W3157535910 hasRelatedWork W4200164582 @default.
- W3157535910 hasRelatedWork W4223608122 @default.
- W3157535910 hasVolume "18" @default.
- W3157535910 isParatext "false" @default.
- W3157535910 isRetracted "false" @default.
- W3157535910 magId "3157535910" @default.
- W3157535910 workType "article" @default.