Matches in SemOpenAlex for { <https://semopenalex.org/work/W2897250456> ?p ?o ?g. }
Showing items 1 to 74 of
74
with 100 items per page.
- W2897250456 abstract "Alzheimer's disease (AD) is a neurodegenerative disease, which is pathologically characterized by production and deposition of amyloid plaques. The plaques are formed by extracellular deposition of amyloid-β peptide (Aβ). The β-secretase (β-site amyloid precursor protein cleaving enzyme, BACE1) is the principle enzyme responsible for the initiatory cleavage β-amyloid precursor protein (APP) for production of Aβ. Previous studies have shown that the BACE1 enzyme knock-out model in mice completely prevented Aβ generation and it is also involved in abnormal production of Aβ plaques in brain. Therefore, targeting BACE1 has become attractive alternate therapeutic target for AD drug development. In silico molecular docking study is a cost effective method for analysis of binding energy and molecular interaction of inhibitors to the target enzyme. In the present study, structure-based virtual screening and evaluation of binding energies of the phytoconstituents from selected traditional spices was performed using Schrodinger suite. All the selected Phytoconstituents were docked with X-Ray crystallographic structure of BACE1 (PDBID-3L5E) and prioritized based on the dock score and glide energy. The top five lead Phytoconstituents were further studied in detail for molecular interaction with active site residues. The top lead phytoconstituent was ellagic acid with dock score of -7.49 and glide energy of -33.854 kcal/mol. Ellagic acid showed molecular interaction with Asn98, Trp137, Ile187, Arg189 and Tyr259." @default.
- W2897250456 created "2018-10-26" @default.
- W2897250456 creator A5028923571 @default.
- W2897250456 creator A5047045968 @default.
- W2897250456 date "2018-07-01" @default.
- W2897250456 modified "2023-10-16" @default.
- W2897250456 title "P1‐085: <i>IN SILICO</i> STUDY OF PHYTOCONSTITUENTS FROM SELECTED TRADITIONAL SPICES AS POTENTIAL INHIBITORS OF β‐SITE AMYLOID PRECURSOR PROTEIN CLEAVING ENZYME (BACE1)" @default.
- W2897250456 doi "https://doi.org/10.1016/j.jalz.2018.06.087" @default.
- W2897250456 hasPublicationYear "2018" @default.
- W2897250456 type Work @default.
- W2897250456 sameAs 2897250456 @default.
- W2897250456 citedByCount "0" @default.
- W2897250456 crossrefType "journal-article" @default.
- W2897250456 hasAuthorship W2897250456A5028923571 @default.
- W2897250456 hasAuthorship W2897250456A5047045968 @default.
- W2897250456 hasConcept C104317684 @default.
- W2897250456 hasConcept C142724271 @default.
- W2897250456 hasConcept C159110408 @default.
- W2897250456 hasConcept C177907266 @default.
- W2897250456 hasConcept C181199279 @default.
- W2897250456 hasConcept C185592680 @default.
- W2897250456 hasConcept C2775905019 @default.
- W2897250456 hasConcept C2778004101 @default.
- W2897250456 hasConcept C2779134260 @default.
- W2897250456 hasConcept C2779281246 @default.
- W2897250456 hasConcept C2781464872 @default.
- W2897250456 hasConcept C31705614 @default.
- W2897250456 hasConcept C41183919 @default.
- W2897250456 hasConcept C41685203 @default.
- W2897250456 hasConcept C502032728 @default.
- W2897250456 hasConcept C55493867 @default.
- W2897250456 hasConcept C70899900 @default.
- W2897250456 hasConcept C71240020 @default.
- W2897250456 hasConcept C71924100 @default.
- W2897250456 hasConcept C93073132 @default.
- W2897250456 hasConceptScore W2897250456C104317684 @default.
- W2897250456 hasConceptScore W2897250456C142724271 @default.
- W2897250456 hasConceptScore W2897250456C159110408 @default.
- W2897250456 hasConceptScore W2897250456C177907266 @default.
- W2897250456 hasConceptScore W2897250456C181199279 @default.
- W2897250456 hasConceptScore W2897250456C185592680 @default.
- W2897250456 hasConceptScore W2897250456C2775905019 @default.
- W2897250456 hasConceptScore W2897250456C2778004101 @default.
- W2897250456 hasConceptScore W2897250456C2779134260 @default.
- W2897250456 hasConceptScore W2897250456C2779281246 @default.
- W2897250456 hasConceptScore W2897250456C2781464872 @default.
- W2897250456 hasConceptScore W2897250456C31705614 @default.
- W2897250456 hasConceptScore W2897250456C41183919 @default.
- W2897250456 hasConceptScore W2897250456C41685203 @default.
- W2897250456 hasConceptScore W2897250456C502032728 @default.
- W2897250456 hasConceptScore W2897250456C55493867 @default.
- W2897250456 hasConceptScore W2897250456C70899900 @default.
- W2897250456 hasConceptScore W2897250456C71240020 @default.
- W2897250456 hasConceptScore W2897250456C71924100 @default.
- W2897250456 hasConceptScore W2897250456C93073132 @default.
- W2897250456 hasIssue "7S_Part_5" @default.
- W2897250456 hasLocation W28972504561 @default.
- W2897250456 hasOpenAccess W2897250456 @default.
- W2897250456 hasPrimaryLocation W28972504561 @default.
- W2897250456 hasRelatedWork W2055926114 @default.
- W2897250456 hasRelatedWork W2075264893 @default.
- W2897250456 hasRelatedWork W2288137038 @default.
- W2897250456 hasRelatedWork W2761967530 @default.
- W2897250456 hasRelatedWork W2794690827 @default.
- W2897250456 hasRelatedWork W3026528211 @default.
- W2897250456 hasRelatedWork W4224290264 @default.
- W2897250456 hasRelatedWork W2181813563 @default.
- W2897250456 hasRelatedWork W2186713119 @default.
- W2897250456 hasRelatedWork W3098537754 @default.
- W2897250456 hasVolume "14" @default.
- W2897250456 isParatext "false" @default.
- W2897250456 isRetracted "false" @default.
- W2897250456 magId "2897250456" @default.
- W2897250456 workType "article" @default.