FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3141870056> ?p ?o ?g. }

• W3141870056 abstract "Matrix metalloproteinases (MMPs) are the major proteolytic enzymes which assist in regulating the metastatic process by degrading the extracellular matrix proteins. In this study, we have investigated the anti-metastatic potential of major bioactive compounds in the medicinal plant Indigofera aspalathoides targeting matrix metalloproteinases (MMP2 & MMP9) and it's in silico pharmacokinetic profiles using computational studies. Indigofera aspalathoides (Sivanar vembu in Tamil) is a renowned medicinal herb in traditional Indian medicine which contains indigocarpan, mucronulatol, indigocarpan diacetate, erythroxydiol X and erythroxydiol Y as the major constituents. The 3-dimensional structure of MMP2 and MMP9 was designed by using I-tasser and Modeller and it was validated by PROCHECK. The structures of mucronulatol and indigocarpan have been retrieved from PubChem and indigocarpan diacetate, erythroxydiol X & Y were drawn by using Chemdraw Ultra 6.0. Batimastat was used as a positive control. Molecular docking was performed by using AutoDock 4.2 tools and AutoDock vina, an open-source program which signifies an effective interaction between the phytoligands and MMP2 & MMP9. From the results, AutoDock 4.2 have showed that indigocarpan possesses strong binding energy (ΔG) of - 7.68 kcal/mol towards MMP2 and - 6.35 kcal/mol towards MMP9, whereas batimastat showed binding energy (ΔG) of - 6.34 kcal/mol for MMP2 and - 5.66 kcal/mol for MMP9, meanwhile the results from AutoDock vina indicates that indigocarpan possesses strong binding energy (ΔG) of - 8.0 kcal/mol towards MMP2 and - 8.2 kcal/mol towards MMP9, whereas batimastat showed binding energy (ΔG) of - 7.2 kcal/mol for MMP2 and - 7.6 kcal/mol for MMP9. Also, the ADME and toxicity results suggest that the indigocarpan compound possesses a druggable pharmacokinetic potentiality and does not have carcinogenicity and Ames mutagenesis compared with other phytoligands. Hence, it is evident from our results that both AutoDock platforms strongly revealed that the phytoligand, indigocarpan possesses strong inhibitory activity against MMP2 and MMP9 to control cancer metastasis.The online version contains supplementary material available at 10.1007/s13205-021-02731-w." @default.
• W3141870056 created "2021-04-13" @default.
• W3141870056 creator A5016856137 @default.
• W3141870056 creator A5027675438 @default.
• W3141870056 date "2021-04-07" @default.
• W3141870056 modified "2023-10-06" @default.
• W3141870056 title "Computational insights into the identification of a potent matrix metalloproteinase inhibitor from Indigofera aspalathoides to control cancer metastasis" @default.
• W3141870056 cites W1932538671 @default.
• W3141870056 cites W1967606591 @default.
• W3141870056 cites W1986191025 @default.
• W3141870056 cites W1987134040 @default.
• W3141870056 cites W1992885568 @default.
• W3141870056 cites W1998917415 @default.
• W3141870056 cites W2000241906 @default.
• W3141870056 cites W2005334224 @default.
• W3141870056 cites W2018661561 @default.
• W3141870056 cites W2030786088 @default.
• W3141870056 cites W2054090904 @default.
• W3141870056 cites W2056285415 @default.
• W3141870056 cites W2061723012 @default.
• W3141870056 cites W2069454527 @default.
• W3141870056 cites W2077512324 @default.
• W3141870056 cites W2085663480 @default.
• W3141870056 cites W2094458603 @default.
• W3141870056 cites W2105668062 @default.
• W3141870056 cites W2114520383 @default.
• W3141870056 cites W2118817344 @default.
• W3141870056 cites W2121317746 @default.
• W3141870056 cites W2133228804 @default.
• W3141870056 cites W2134967712 @default.
• W3141870056 cites W2140538197 @default.
• W3141870056 cites W2147443001 @default.
• W3141870056 cites W2164088236 @default.
• W3141870056 cites W2296866227 @default.
• W3141870056 cites W2322375144 @default.
• W3141870056 cites W2473149873 @default.
• W3141870056 cites W2593436234 @default.
• W3141870056 cites W2613168288 @default.
• W3141870056 cites W2729240665 @default.
• W3141870056 cites W2734771677 @default.
• W3141870056 cites W2800376069 @default.
• W3141870056 cites W2803694889 @default.
• W3141870056 cites W2892001122 @default.
• W3141870056 cites W2915160417 @default.
• W3141870056 cites W2932195454 @default.
• W3141870056 cites W2942084807 @default.
• W3141870056 cites W2994405351 @default.
• W3141870056 cites W3012307045 @default.
• W3141870056 cites W3027581013 @default.
• W3141870056 cites W3109881977 @default.
• W3141870056 cites W4211196614 @default.
• W3141870056 doi "https://doi.org/10.1007/s13205-021-02731-w" @default.
• W3141870056 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/8026800" @default.
• W3141870056 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/33927994" @default.
• W3141870056 hasPublicationYear "2021" @default.
• W3141870056 type Work @default.
• W3141870056 sameAs 3141870056 @default.
• W3141870056 citedByCount "3" @default.
• W3141870056 countsByYear W31418700562022 @default.
• W3141870056 countsByYear W31418700562023 @default.
• W3141870056 crossrefType "journal-article" @default.
• W3141870056 hasAuthorship W3141870056A5016856137 @default.
• W3141870056 hasAuthorship W3141870056A5027675438 @default.
• W3141870056 hasBestOaLocation W31418700562 @default.
• W3141870056 hasConcept C104317684 @default.
• W3141870056 hasConcept C109523444 @default.
• W3141870056 hasConcept C127561419 @default.
• W3141870056 hasConcept C158180186 @default.
• W3141870056 hasConcept C185592680 @default.
• W3141870056 hasConcept C2775905019 @default.
• W3141870056 hasConcept C2775997469 @default.
• W3141870056 hasConcept C2780152424 @default.
• W3141870056 hasConcept C2780699576 @default.
• W3141870056 hasConcept C55493867 @default.
• W3141870056 hasConceptScore W3141870056C104317684 @default.
• W3141870056 hasConceptScore W3141870056C109523444 @default.
• W3141870056 hasConceptScore W3141870056C127561419 @default.
• W3141870056 hasConceptScore W3141870056C158180186 @default.
• W3141870056 hasConceptScore W3141870056C185592680 @default.
• W3141870056 hasConceptScore W3141870056C2775905019 @default.
• W3141870056 hasConceptScore W3141870056C2775997469 @default.
• W3141870056 hasConceptScore W3141870056C2780152424 @default.
• W3141870056 hasConceptScore W3141870056C2780699576 @default.
• W3141870056 hasConceptScore W3141870056C55493867 @default.
• W3141870056 hasIssue "5" @default.
• W3141870056 hasLocation W31418700561 @default.
• W3141870056 hasLocation W31418700562 @default.
• W3141870056 hasLocation W31418700563 @default.
• W3141870056 hasOpenAccess W3141870056 @default.
• W3141870056 hasPrimaryLocation W31418700561 @default.
• W3141870056 hasRelatedWork W2088646877 @default.
• W3141870056 hasRelatedWork W2099499481 @default.
• W3141870056 hasRelatedWork W2188724532 @default.
• W3141870056 hasRelatedWork W2357873534 @default.
• W3141870056 hasRelatedWork W2380560195 @default.
• W3141870056 hasRelatedWork W2380666494 @default.
• W3141870056 hasRelatedWork W2380810484 @default.
• W3141870056 hasRelatedWork W2382556946 @default.
• W3141870056 hasRelatedWork W2990057085 @default.
• W3141870056 hasRelatedWork W4381685732 @default.

• next