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SINTESIS DAN PENAMBATAN MOLEKUL SENYAWA ANALOG KURKUMIN MONOKARBONIL ASIMETRIS SEBAGAI ANTIMALARIA

VEGA REVOLMAN, Prof. Drs. Bambang Purwono, M.Sc, Ph.D. , Prof. Dr. Chairil Anwar

2022 | Skripsi | S1 KIMIA

Telah dilakukan penelitian berjudul Sintesis dan Penambatan Molekul Senyawa Analog Kurkumin Monokarbonil Asimetris Sebagai Antimalaria. Penelitian bertujuan melakukan sintesis senyawa analog kurkumin monokarbonil asimetris (AKMA) dari senyawa vanilidinaseton serta melakukan uji in-silico antimalaria melalui penambatan molekul dan profil ADMET. Sintesis senyawa AKMA diperoleh dari reaksi aldol kondensasi antara vanilidinaseton dengan turunan benzaldehid (2-hidroksibenzaldehid dan 2-hidroksi-3-metoksibenzaldehida) menggunakan katalis HCl 3N. Vanilidinaseton diperoleh dari reaksi kondensasi vanilin dan aseton dengan bantuan katalis NaOH 10%. Hasil dielusidasi dengan FT-IR, LC-MS dan 1H-NMR. Penambatan molekul antimalaria dilakukan menggunakan software autodock4 antara AKMA dengan protein PfDHFR-TS. Senyawa (1E,4E)-1-(4-hidroksi-3-metoksifenil)-5-(2-hidroksifenol)penta-1,4-dien-3-on (AKMA A) dan (1E,4E)-1-(2-hidroksi-3-metoksifenil)-5-(4-hidroksi-3-metoksifenil)penta-1,4-dien-3-on (AKMA B) berhasil disintesis dengan rendemen 27,5% dan 34,35%. Penambatan molekul AKMA A dan AKMA B diperoleh nilai afinitas ikatan yg lebih rendah (-7,39 dan -7,25 kkal/mmol) dibandingkan ligan native (-5,81 kkal/mmol), vanilidinaseton (-6,14 kkal/mmol), dan kurkumin (-7,14 kkal/mmol). Hasil analisis ADMET menunjukkan senyawa AKMA A dan AKMA B merupakan kandidat obat oral.

The experiment of Synthesis and Docking Molecular of Asymmetric monocarbonyl Curcumin Analogues as An Antimalaria has been carried out. The aim of this study was to synthesize asymmetric monocarbonyl curcumin analogues (AKMA) from vanillydenacetone and in-silico antimalarial study using molecular penambatan & ADMET profile. The synthesis of AKMA was obtained from the aldol condensations reaction between vanilydenacetone with benzaldehyde derivatives (2-hidroxybenzaldehyde and 2-hidroxy-3-methoxybenzaldehyde) with using HCL 3N as a catalyst. Vanilydenacetone was obtained from condensation reaction between vanilin and acetone using NaOH 10% as a catalyst. The result was elucidated with FT-IR, LC-MS, and 1H-NMR. Penambatan molecular was carried out with using software autodock4 between AKMA with PfDHFR-TS protein. The (1E,4E)-1-(4-hydroxy-3-methoxyphenyl)-5-(2-hydroxyphenyl)penta-1,4-dien-3-one (AKMA A) and (1E,4E)-1-(2-hydroxy-3-methoxyphenyl)-5-(4-hydroxy-3-methoxyphenyl)penta-1,4-dien-3-one (AKMA B) were succesfully synthesized with yield of 27,5 % and 34,35% respectively. Molecular penambatan studies AKMA A and AKMA B showed lower bond affinity (-7,39 dan -7,25 kkal/mmol) compared to native ligand (-5,81 kkal/mmol), vanillydenacetone (-6,14 kkal/mmol), curcumin (-7,14 kkal/mmol). The result of ADMET analysis showed that AKMA A and AKMA B were oral drug candidate.

Kata Kunci : Antimalaria, Kurkumin asimetris, Penambatan molekul

  1. S1_2022_412708_abstract.pdf  
  2. S1_2022_412708_bibliography.pdf  
  3. S1_2022_412708_tableofcontent.pdf  
  4. S1_2022_412708_title.pdf