{"data":{"id":"10.6084/m9.figshare.c.2003267.v1","type":"dois","attributes":{"doi":"10.6084/m9.figshare.c.2003267.v1","prefix":"10.6084","suffix":"m9.figshare.c.2003267.v1","identifiers":[],"alternateIdentifiers":[],"creators":[{"name":"Jamila, Nargis","givenName":"Nargis","familyName":"Jamila","affiliation":[],"nameIdentifiers":[]},{"name":"Kooi Yeong, Khaw","givenName":"Khaw","familyName":"Kooi Yeong","affiliation":[],"nameIdentifiers":[]},{"name":"Murugaiyah, Vikneswaran","givenName":"Vikneswaran","familyName":"Murugaiyah","affiliation":[],"nameIdentifiers":[]},{"name":"Atlas, Amir","givenName":"Amir","familyName":"Atlas","affiliation":[],"nameIdentifiers":[]},{"name":"Khan, Imran","givenName":"Imran","familyName":"Khan","affiliation":[],"nameIdentifiers":[]},{"name":"Khan, Naeem","givenName":"Naeem","familyName":"Khan","affiliation":[],"nameIdentifiers":[]},{"name":"Noor Khan, Sadiq","givenName":"Sadiq","familyName":"Noor Khan","affiliation":[],"nameIdentifiers":[]},{"name":"Khairuddean, Melati","givenName":"Melati","familyName":"Khairuddean","affiliation":[],"nameIdentifiers":[]},{"name":"Osman, Hasnah","givenName":"Hasnah","familyName":"Osman","affiliation":[],"nameIdentifiers":[]}],"titles":[{"title":"Molecular docking studies and \u003ci\u003ein vitro\u003c/i\u003e cholinesterase enzyme inhibitory activities of chemical constituents of \u003ci\u003eGarcinia hombroniana\u003c/i\u003e"}],"publisher":"Taylor \u0026 Francis","container":{},"publicationYear":2015,"subjects":[{"subject":"Cancer"},{"subject":"Biological Sciences"},{"subject":"Immunology"},{"subject":"FOS: Clinical medicine","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Chemistry"},{"subject":"Earth and Environmental Sciences"},{"subject":"Pharmacology"},{"subject":"Neuroscience"},{"subject":"Microbiology"},{"subject":"FOS: Biological sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Biochemistry"}],"contributors":[],"dates":[{"date":"2015-12-05","dateType":"Created"},{"date":"2019-08-19","dateType":"Updated"},{"date":"2015","dateType":"Issued"}],"language":null,"types":{"ris":"GEN","bibtex":"misc","citeproc":"article","schemaOrg":"Collection","resourceType":"Collection","resourceTypeGeneral":"Collection"},"relatedIdentifiers":[{"relationType":"IsIdenticalTo","relatedIdentifier":"10.6084/m9.figshare.c.2003267","relatedIdentifierType":"DOI"}],"relatedItems":[],"sizes":[],"formats":[],"version":null,"rightsList":[{"rights":"Creative Commons Attribution 4.0 International","rightsUri":"https://creativecommons.org/licenses/by/4.0/legalcode","schemeUri":"https://spdx.org/licenses/","rightsIdentifier":"cc-by-4.0","rightsIdentifierScheme":"SPDX"}],"descriptions":[{"description":"\u003ci\u003eGarcinia\u003c/i\u003e species are reported to possess antimicrobial, anti-inflammatory, anticancer, anti-HIV and anti-Alzheimer's activities. This study aimed to investigate the \u003ci\u003ein vitro\u003c/i\u003e cholinesterase enzyme inhibitory activities of garcihombronane C (\u003cb\u003e1\u003c/b\u003e), garcihombronane F (\u003cb\u003e2\u003c/b\u003e), garcihombronane I (\u003cb\u003e3\u003c/b\u003e), garcihombronane N (\u003cb\u003e4\u003c/b\u003e), friedelin (\u003cb\u003e5\u003c/b\u003e), clerosterol (\u003cb\u003e6\u003c/b\u003e), spinasterol glucoside (\u003cb\u003e7\u003c/b\u003e) and 3β-hydroxy lup-12,20(29)-diene (\u003cb\u003e8\u003c/b\u003e) isolated from \u003ci\u003eGarcinia hombroniana\u003c/i\u003e, and to perform molecular docking simulation to get insight into the binding interactions of the ligands and enzymes. The cholinesterase inhibitory activities were evaluated using acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes. In this study, compound \u003cb\u003e4\u003c/b\u003e displayed the highest concentration-dependent inhibition of both AChE and BChE. Docking studies exhibited that compound \u003cb\u003e4\u003c/b\u003e binds through hydrogen bonds to amino acid residues of AChE and BChE. The calculated docking and binding energies also supported the \u003ci\u003ein vitro\u003c/i\u003e inhibitory profiles of IC\u003csub\u003e50\u003c/sub\u003e. In conclusion, garcihombronanes C, F, I and N (\u003cb\u003e1\u003c/b\u003e–\u003cb\u003e4\u003c/b\u003e) exhibited dual and moderate inhibitory activities against AChE and BChE.","descriptionType":"Abstract"}],"geoLocations":[],"fundingReferences":[],"xml":"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