Metabolomic study and in silico approach of DLBS1442 as progesterone receptor agonist

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dc.contributor.authorRahardjo, Natalia Windarien_US
dc.contributor.authorEmanuel, Dani Ramdanien_US
dc.contributor.authorRaymond, Rubianto Tjandrawinataen_US
dc.contributor.authorYantien_US
dc.date.accessioned2020-10-16T08:56:55Z
dc.date.available2020-10-16T08:56:55Z
dc.date.issued2020-05
dc.description.abstractEndometriosis prevalence has been known to be quite high among women of reproductive age and with pelvic painand/or infertility. The reason is that the estrogen level in the eutopic endometrium of women with endometriosis ishigher than in normal endometrium which may possibly be caused by the lack of interaction between progesteroneand progesterone receptor (PR). Dexa Laboratories of Biomolecular Sciences (DLBS) has developed DLBS1442,a bioactive fraction from Phaleria macrocarpa (Scheff) Boerl fruit, which has been found to be potential to treatsymptoms of primary dysmenorrhea and alleviate endometriosis. Therefore, the identification of DLBS1442 activecompounds which act as a PR agonist was necessary. Identification was performed using metabolomics study whichresulted in 14 compounds. Crystal structure of the PR with asoprisnil as the reference was obtained from PDB (4A2J).Virtual screening validation process was performed using Protein-Ligand ANT System (PLANTS) and Pythonbased Protein-Ligand Interaction Fingerprinting (PyPLIF). According to the virtual screening protocol validation,the highest Enrichment Factor (EF) 1% value was obtained with hydrogen interaction with GLN725 and ARG766residue. Virtual screening of the DLBS1442 metabolomics study showed that only glyceryl pentacosanoate exhibited alower Chem Piecewise Linear Potential (ChemPLP) than the cutoff. This compound might have a role as a PR agonistwhich supported the previous findings of DLBS1442 to alleviate endometriosis. However, this finding requires furtherin vitro and/or in vivo study to ensure the agonist activity of glyceryl pentacosanoate as a DLBS1442 active compound.en_US
dc.identifier.affiliationsDexa Laboratories of Biomolecular Sciences, Cikarang 17550, West Java, Indonesia.en_US
dc.identifier.affiliationsFaculty of Biotechnology, Atma Jaya Catholic University of Indonesia, Jakarta 12930, Indonesia.en_US
dc.identifier.affiliationsDexa Laboratories of Biomolecular Sciences, Cikarang 17550, West Java, Indonesiaen_US
dc.identifier.affiliationsDexa Laboratories of Biomolecular Sciences, Cikarang 17550, West Java, Indonesiaen_US
dc.identifier.affiliationsFaculty of Biotechnology, Atma Jaya Catholic University of Indonesia, Jakarta 12930, Indonesiaen_US
dc.identifier.affiliationsFaculty of Biotechnology, Atma Jaya Catholic University of Indonesia, Jakarta 12930, Indonesiaen_US
dc.identifier.citationRahardjo Natalia Windari, Emanuel Dani Ramdani, Raymond Rubianto Tjandrawinata, Yanti. Metabolomic study and in silico approach of DLBS1442 as progesterone receptor agonist. Journal of Applied Pharmaceutical Science. 2020 May; 2020 May: 063-069en_US
dc.identifier.issn2231-3354
dc.identifier.placeIndiaen_US
dc.identifier.urihttps://imsear.searo.who.int/handle/123456789/210750
dc.languageenen_US
dc.publisherOpen Science Publishers LLPen_US
dc.relation.issuenumber5en_US
dc.relation.volume10en_US
dc.source.urihttps://dx.doi.org//10.7324/JAPS.2020.10509en_US
dc.subjectProgesterone receptoren_US
dc.subjectagonisten_US
dc.subjectDLBS1442en_US
dc.subjectmetabolomicsen_US
dc.subjectvirtual screening.en_US
dc.titleMetabolomic study and in silico approach of DLBS1442 as progesterone receptor agonisten_US
dc.typeJournal Articleen_US
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