FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W170038034> ?p ?o ?g. }

• W170038034 abstract "Gamma-secretase is a trans-membrane aspartyl protease that consists of four subunits, namely Anterior Pharynx Defective Phenotype (APH-1), Presenilin (PSEN), Nicastrin (Nct) and Presenilin 2 Enhancer (PEN2). Presenilin is identified as the catalytic core of a-secretase with the two aspartyl residues at the catalytic site. a-secretase is involved in the ultimate step in the processing of Amyloid Precursor Protein (APP) to yield Amyloid Beta peptide (Aâ). Aâ of various residue lengths is formed that includes the toxic Aâ42. Aggregation of Aâ42 has been identified to contribute to etiology of Alzheimer’s disease (AD). Inhibition of processing of APP by a-secretase is a possible intervention strategy for the therapy for AD. Various studies carried out to find inhibitors for a-secretase have populated two classes of compounds, a-secretase Inhibitors and a-secretase Modulators. Despite these efforts there is a dearth of an effective therapy for AD. This study aimed to find potential inhibitors of a-secretase using in-silico screening of DrugBank database. A total of 10 Pharmacophore models were developed from 54 molecules shown to inhibit a-secretase. The pharmacophore models were used as 3D query in database screening of 6160 drug molecules selected from DrugBank. The list of hits that resulted from the database screening using all the 10 pharmacophore models was compacted to yield 721 unique entries with a fit score over 3.00 on a scale of 4.00 against the pharmacophore model. A QSAR model was developed employing multiple linear regression to calculate the predicted IC50 value for the 721 molecules from screening using pharmacophore models. Docking study was done to calculate the binding energy for 498 molecules with predicted IC50 value under 10000nM. 55 molecules with binding energy, ∆G, lesser than –8.00 kcal/mol are presented as potential inhibitors of a-secretase. Thus, this data can be used for further studies for the development of therapy for Alzheimer’s disease." @default.
• W170038034 created "2016-06-24" @default.
• W170038034 creator A5059889738 @default.
• W170038034 date "2013-01-01" @default.
• W170038034 modified "2023-09-27" @default.
• W170038034 title "In-silico screening of potential inhibitors of gamma-secretase, a key enzyme of Alzheimer’s disease" @default.
• W170038034 cites W1534001036 @default.
• W170038034 cites W1657254368 @default.
• W170038034 cites W1729010372 @default.
• W170038034 cites W1731875419 @default.
• W170038034 cites W1772692214 @default.
• W170038034 cites W1830769718 @default.
• W170038034 cites W1973897761 @default.
• W170038034 cites W1975833474 @default.
• W170038034 cites W1985588649 @default.
• W170038034 cites W1985613997 @default.
• W170038034 cites W1993428183 @default.
• W170038034 cites W1996310770 @default.
• W170038034 cites W1996579240 @default.
• W170038034 cites W1999491936 @default.
• W170038034 cites W2001914338 @default.
• W170038034 cites W2019567619 @default.
• W170038034 cites W2025556018 @default.
• W170038034 cites W2029695041 @default.
• W170038034 cites W2030072508 @default.
• W170038034 cites W2033962595 @default.
• W170038034 cites W2036288989 @default.
• W170038034 cites W2039047003 @default.
• W170038034 cites W2043014029 @default.
• W170038034 cites W2049130898 @default.
• W170038034 cites W2068672372 @default.
• W170038034 cites W2071806349 @default.
• W170038034 cites W2073420511 @default.
• W170038034 cites W2075175573 @default.
• W170038034 cites W2075829521 @default.
• W170038034 cites W2083251178 @default.
• W170038034 cites W2089824266 @default.
• W170038034 cites W2128402268 @default.
• W170038034 cites W2140822113 @default.
• W170038034 cites W2153439292 @default.
• W170038034 cites W2161532460 @default.
• W170038034 cites W2163210644 @default.
• W170038034 cites W2163757074 @default.
• W170038034 cites W2166674455 @default.
• W170038034 cites W2166681711 @default.
• W170038034 cites W2167959613 @default.
• W170038034 cites W2169678694 @default.
• W170038034 cites W2170146596 @default.
• W170038034 cites W2208203352 @default.
• W170038034 cites W2211224366 @default.
• W170038034 cites W2321231956 @default.
• W170038034 cites W2404908052 @default.
• W170038034 hasPublicationYear "2013" @default.
• W170038034 type Work @default.
• W170038034 sameAs 170038034 @default.
• W170038034 citedByCount "0" @default.
• W170038034 crossrefType "dissertation" @default.
• W170038034 hasAuthorship W170038034A5059889738 @default.
• W170038034 hasConcept C104317684 @default.
• W170038034 hasConcept C142724271 @default.
• W170038034 hasConcept C155261790 @default.
• W170038034 hasConcept C175344181 @default.
• W170038034 hasConcept C185592680 @default.
• W170038034 hasConcept C2775905019 @default.
• W170038034 hasConcept C2778171954 @default.
• W170038034 hasConcept C2779134260 @default.
• W170038034 hasConcept C2779658117 @default.
• W170038034 hasConcept C2780035454 @default.
• W170038034 hasConcept C31705614 @default.
• W170038034 hasConcept C502032728 @default.
• W170038034 hasConcept C55493867 @default.
• W170038034 hasConcept C56173144 @default.
• W170038034 hasConcept C70721500 @default.
• W170038034 hasConcept C71924100 @default.
• W170038034 hasConcept C86803240 @default.
• W170038034 hasConcept C98274493 @default.
• W170038034 hasConceptScore W170038034C104317684 @default.
• W170038034 hasConceptScore W170038034C142724271 @default.
• W170038034 hasConceptScore W170038034C155261790 @default.
• W170038034 hasConceptScore W170038034C175344181 @default.
• W170038034 hasConceptScore W170038034C185592680 @default.
• W170038034 hasConceptScore W170038034C2775905019 @default.
• W170038034 hasConceptScore W170038034C2778171954 @default.
• W170038034 hasConceptScore W170038034C2779134260 @default.
• W170038034 hasConceptScore W170038034C2779658117 @default.
• W170038034 hasConceptScore W170038034C2780035454 @default.
• W170038034 hasConceptScore W170038034C31705614 @default.
• W170038034 hasConceptScore W170038034C502032728 @default.
• W170038034 hasConceptScore W170038034C55493867 @default.
• W170038034 hasConceptScore W170038034C56173144 @default.
• W170038034 hasConceptScore W170038034C70721500 @default.
• W170038034 hasConceptScore W170038034C71924100 @default.
• W170038034 hasConceptScore W170038034C86803240 @default.
• W170038034 hasConceptScore W170038034C98274493 @default.
• W170038034 hasLocation W1700380341 @default.
• W170038034 hasOpenAccess W170038034 @default.
• W170038034 hasPrimaryLocation W1700380341 @default.
• W170038034 hasRelatedWork W1988281445 @default.
• W170038034 hasRelatedWork W2000688932 @default.
• W170038034 hasRelatedWork W2041520260 @default.

• next