SINTESIS DAN STUDI MOLECULAR DOCKING SENYAWA 5-(2-2-(MORFOLIN-4-IL)ETOKSI)FENIL- 3-(NAFTALEN-2-IL)-1-FENIL-4,5-1H-PIRAZOL SEBAGAI KANDIDAT OBAT ANTIKANKER PAYUDARA

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dc.contributor.authorKarim, Muhammad Abdul
dc.contributor.supervisorJasril, Jasril
dc.date.accessioned2024-02-01T02:22:38Z
dc.date.available2024-02-01T02:22:38Z
dc.date.issued2023-09
dc.description.abstractPyrazoline is a five-membered heterocyclic compound containing two adjacent nitrogen atoms and an endocyclic double bond. This compound is a secondary metabolites, which exhibits diverse bioactivities, such as antibacterial, anti-inflammatory, antiviral, antitumor, anticancer, etc. Due to its limited availability in nature, this compound was imperative to be synthesized for the development of novel pharmaceuticals. A pyrazoline derivatives substituted with naphthalene and phenoxyethyl morpholine moiety with named as PRZ-2NFT-2OM was successfully synthesized in three-step of the reaction process. The initial stage involved the formation of chalcone (3) via the Claisen-Schmidt condensation reaction. The subsequent stage encompassed the formation of pyrazoline (5) through the cyclization reaction. The final stage entailed the fomation of PRZ-2NFT-2OM through O-alkylation of morpholine substituent, with yields of 31%, 74%, and 51%, respectively. The purity analysis of each synthesized compound was conducted using techniques such as thin-layer chromatography (TLC), determination of melting points, and high-performance liquid chromatography (HPLC). Based on spectroscopy data of UV, FTIR and LC-MS, the PRZ-2NFT-2OM compound was confirmed to match the intended structure. The PRZ-2NFT-2OM compound showed remarkable efficacy in in-silico bioactivity analysis through the molecular docking method as an inhibitor of alpha-estrogen protein (ER-α). It exhibited more potent values for binding free energy (ΔGbind) and inhibition constant (Ki) than its positive control which the values were -10.5 kcal/mol and 0.0198 μM for PRZ-2NFT- 2OM, whereas they were -9.5 kcal/mol and 1.27 μM for 4-hydroxytamoxifen.en_US
dc.description.sponsorshipFakultas Matematika dan Ilmu Pengetahuan Alam Universitas Riauen_US
dc.identifier.citationPerpustakaanen_US
dc.identifier.otherElfitra
dc.identifier.urihttps://repository.unri.ac.id/handle/123456789/11267
dc.publisherElfitraen_US
dc.subjectanticanceren_US
dc.subjectmorpholineen_US
dc.subjectpyrazolineen_US
dc.titleSINTESIS DAN STUDI MOLECULAR DOCKING SENYAWA 5-(2-2-(MORFOLIN-4-IL)ETOKSI)FENIL- 3-(NAFTALEN-2-IL)-1-FENIL-4,5-1H-PIRAZOL SEBAGAI KANDIDAT OBAT ANTIKANKER PAYUDARAen_US
dc.typeArticleen_US

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