FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4327856873> ?p ?o ?g. }

• W4327856873 endingPage "15" @default.
• W4327856873 startingPage "1" @default.
• W4327856873 abstract "Pancreatic ductal adenocarcinoma is an aggressive malignancy usually detectable at the advanced stage, with a 5-year survival rate of less than 8%. It has been reported that a gene called tumor-protein 63 (TP63) is expressed in an aggressive form of pancreatic cancer with a squamous signature. Thus, inhibiting the activity of p63 can be a means of treating and managing PDA. Different studies have shown that plant constituents are rich and can be a promising source for discovering drug candidates. The extract from mistletoe (Viscum album) is known to contain anticancer compounds; however, the specific molecular mechanism of the bioactive compounds is unknown. This study examines the pancreatic cancer therapeutic potential of the bioactive compounds in the flavonoid and phenolic acid constituents of mistletoe by adopting structural bioinformatics and advanced theoretical chemistry techniques via molecular docking, molecular dynamics simulation, molecular mechanics/generalized Born surface area (MM/GBSA) calculations, pharmacokinetic analysis, and density functional theory analysis. The six best compounds from the flavonoid constituent with the highest binding affinity ranging from -6.8 kcal/mol to -6.7 kcal/mol were selected with the control gemcitabine (-5.5 kcal/mol) for further computational analysis after molecular docking. Furthermore, MM/GBSA calculation showed the highest binding energy for the selected docked compounds, which validates their inhibitory potential. Hence, the molecular dynamics simulation, post-simulation analysis, pharmacokinetics model, and DFT results showed that mistletoe compounds are reliable due to their stable interaction with the target protein and drug-likeness properties.Communicated by Ramaswamy H. Sarma." @default.
• W4327856873 created "2023-03-20" @default.
• W4327856873 creator A5000223805 @default.
• W4327856873 creator A5002346292 @default.
• W4327856873 creator A5004901619 @default.
• W4327856873 creator A5009236798 @default.
• W4327856873 creator A5039532721 @default.
• W4327856873 creator A5043976578 @default.
• W4327856873 date "2023-03-19" @default.
• W4327856873 modified "2023-10-15" @default.
• W4327856873 title "Computational evaluation of bioactive compounds from <i>Viscum album</i> (mistletoe) as inhibitors of p63 for pancreatic cancer treatment" @default.
• W4327856873 cites W1534987406 @default.
• W4327856873 cites W1822850048 @default.
• W4327856873 cites W1966059799 @default.
• W4327856873 cites W1970549136 @default.
• W4327856873 cites W1976499671 @default.
• W4327856873 cites W1979530113 @default.
• W4327856873 cites W1980323101 @default.
• W4327856873 cites W1981341690 @default.
• W4327856873 cites W1992995822 @default.
• W4327856873 cites W2004676220 @default.
• W4327856873 cites W2005103041 @default.
• W4327856873 cites W2012988814 @default.
• W4327856873 cites W2014858249 @default.
• W4327856873 cites W2031168104 @default.
• W4327856873 cites W2039525991 @default.
• W4327856873 cites W2040355227 @default.
• W4327856873 cites W2040736838 @default.
• W4327856873 cites W2043737771 @default.
• W4327856873 cites W2046332415 @default.
• W4327856873 cites W2046412723 @default.
• W4327856873 cites W2051178076 @default.
• W4327856873 cites W2055787813 @default.
• W4327856873 cites W2058363175 @default.
• W4327856873 cites W2066135299 @default.
• W4327856873 cites W2069006374 @default.
• W4327856873 cites W2079552487 @default.
• W4327856873 cites W2080152262 @default.
• W4327856873 cites W2126663928 @default.
• W4327856873 cites W2129153475 @default.
• W4327856873 cites W2130410032 @default.
• W4327856873 cites W2136460234 @default.
• W4327856873 cites W2158185682 @default.
• W4327856873 cites W2173042006 @default.
• W4327856873 cites W2181074044 @default.
• W4327856873 cites W2239621362 @default.
• W4327856873 cites W2285093314 @default.
• W4327856873 cites W2379628571 @default.
• W4327856873 cites W2470418052 @default.
• W4327856873 cites W2528981876 @default.
• W4327856873 cites W2605634628 @default.
• W4327856873 cites W2731200706 @default.
• W4327856873 cites W2766541008 @default.
• W4327856873 cites W2791796258 @default.
• W4327856873 cites W2800261814 @default.
• W4327856873 cites W2886636516 @default.
• W4327856873 cites W2888936354 @default.
• W4327856873 cites W2889183468 @default.
• W4327856873 cites W2901011039 @default.
• W4327856873 cites W2901608487 @default.
• W4327856873 cites W2911188335 @default.
• W4327856873 cites W3102086547 @default.
• W4327856873 cites W3118650017 @default.
• W4327856873 cites W3174659687 @default.
• W4327856873 cites W3214585637 @default.
• W4327856873 cites W4225258788 @default.
• W4327856873 cites W4248107770 @default.
• W4327856873 doi "https://doi.org/10.1080/07391102.2023.2191133" @default.
• W4327856873 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36935102" @default.
• W4327856873 hasPublicationYear "2023" @default.
• W4327856873 type Work @default.
• W4327856873 citedByCount "1" @default.
• W4327856873 countsByYear W43278568732023 @default.
• W4327856873 crossrefType "journal-article" @default.
• W4327856873 hasAuthorship W4327856873A5000223805 @default.
• W4327856873 hasAuthorship W4327856873A5002346292 @default.
• W4327856873 hasAuthorship W4327856873A5004901619 @default.
• W4327856873 hasAuthorship W4327856873A5009236798 @default.
• W4327856873 hasAuthorship W4327856873A5039532721 @default.
• W4327856873 hasAuthorship W4327856873A5043976578 @default.
• W4327856873 hasConcept C112705442 @default.
• W4327856873 hasConcept C121608353 @default.
• W4327856873 hasConcept C147597530 @default.
• W4327856873 hasConcept C159110408 @default.
• W4327856873 hasConcept C185592680 @default.
• W4327856873 hasConcept C25057246 @default.
• W4327856873 hasConcept C2778004101 @default.
• W4327856873 hasConcept C2779054382 @default.
• W4327856873 hasConcept C2780210213 @default.
• W4327856873 hasConcept C2780306569 @default.
• W4327856873 hasConcept C41685203 @default.
• W4327856873 hasConcept C502942594 @default.
• W4327856873 hasConcept C54355233 @default.
• W4327856873 hasConcept C55493867 @default.
• W4327856873 hasConcept C556039675 @default.
• W4327856873 hasConcept C59593255 @default.
• W4327856873 hasConcept C71924100 @default.
• W4327856873 hasConcept C86803240 @default.

• next