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Journal : Al-Kimia

Studi In Silico: Prediksi Potensi 6-shogaol dalam Zingiber officinale sebagai Inhibitor JNK Sri Sulystyaningsih Natalia Daeng Tiring; Yohanes Bare; Andri Maulidi; Mansur S; Fitra Arya Dwi Nugraha
Al-Kimia Vol 7 No 2 (2019): DECEMBER
Publisher : Study Program of Chemistry - Alauddin State Islamic University of Makassar

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (549.97 KB) | DOI: 10.24252/al-kimia.v7i2.10638

Abstract

Type 2 Diabetes Mellitus (T2DM) is a metabolic disease characterized by hyperglycemia and insulin resistance. T2DM therapy against c-Jun N-terminal kinase (JNK) is one of the recovery solutions using bioactive compounds from ginger. 6-shogaol is bioactive compounds of ginger that has antioxidant properties. The purpose of this study is to analyze the potential of 6-shogaol as a JNK inhibitor. JNK protein (ID: 464Y) was obtained from Protein Data Bank (PDB) through 6-shogaol ligand (CID: 5281794) obtained from the PubChem database. Protein docking protein and ligand use Hex 8.0.0 software while visualization and analysis using Discovery Studio client 4.0. The results showed that 6-shogaol was predicted to have potential as a JNK inhibitor. Proving this by finding five amino acid residues (TRY223, LEU210, THR103 ALA214, ARG107) with an energy of -236.29cal/mol. We found the type of hydrogen bonds and the van der waals forces formed. The interaction of ligand and protein successfully inactivates JNK and stops pancreatic β cell dysfunction. 6-shogaol has pharmacological properties as a JNK,T2DM. 
Kajian in Silico Aktivitas Antioksidan Senyawa Bioaktif dalam Minyak Serai (Cymbopogon citratus) Dewi Ratih Tirto Sari; Yohanes Bare
Al-Kimia Vol 9 No 1 (2021): JUNE
Publisher : Study Program of Chemistry - Alauddin State Islamic University of Makassar

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24252/al-kimia.v9i1.18986

Abstract

stress oxidative is a factor promoting metabolic syndrome and other diseases. oxidative stress could be minimalized by exogen and endogen antioxidants. Essential oil from Cymbopogon citratus extract have potential activities as anti-inflammatory and relaxing. This study determined the potential activity as antioxidant through kelch ECH associating protein 1 (KEAP1) inhibition. Four phytosterol compounds from Cymbopogon citratus essential oil, including 3,7-dimethyl-1,3,6-octatriene, decanal, elemol, dan selina- 6-en-4-ol, were downloaded from PubChem database. four compounds were docked with KEAP1 protein and analyzed using Discovery studio ver. 19.0.0.  3,7-dimethyl-1,3,6-octatriene, decanal, elemol, and selina-6-en-4-ol bound to KEAP1 in certain amino acid residues with hydrophobic interaction and hydrogen bond. Interestingly, 3,7-dimethyl-1,3,6-octatriene proved five hydrophobic interaction, higher than decanal and selina-6-en-4-ol. The elemol, and selina-6-en-4-ol interacted with KEAP1 showing lower binding affinity and tight interaction. This study suggested that 3,7-dimethyl-1,3,6-octatriene, decanal, elemol, and selina-6-en-4-ol promoted antioxidant activity. 
Co-Authors Agustina Elizabeth Andri Maulidi Andri Maulidi Angeliana Desimaris Nita Angeliana Desimaris Nita Anselmus Dawa Apriani Herni Rophi Aprianus Pani Pili Aprianus Pani Pili Daeng Tiring, Sri Sulistyaningsih Natalia Dewi Ratih Tirto Sari Dewi Ratih Tirto Sari Dewi Ratih Tirto Sari Dewi Ratih Tirto Sari Dewi Ratih Tirto Sari Dewi Ratih Tirto Sari fatchiyah . Fatinatul Lailiyah Fitra Arya Dwi Nugraha Fransiskus Xaverius Ndia Frederiksen Novenrius Sini Timba Gabriella Candrakirana Krisnamurti Gabriella Candrakirana Krisnamurti Gabriella Chandrakirana Krisnamurti Gabriella Chandrakirana Krisnamurti Gabriella Chandrakirana Krisnamurti Heny Yusuf Indahsari, Lilin Ika Nur Jatmiko Eko Witoyo Kari, Magdalena Letek Klementinus Bhato Krisna Pada Krisna Pada Krisnamurti, Gabriella Candrakirana Krisnamurti, Gabriella Chandrakirana Kristina Novita Kuki, Agustina Dua Laily Sifaiyah Lorenza, Margaretha Rika Wahyu Gabrella Lydia Efliani Coriessa Meak Lydia Efliani Coriessa Meak M A Yohanita Nirmalasari Magdalena Letek Kari Mansur S Mansur s Margaretha Nona Eci Margaretha Rika W G L Margaretha Rika Wahyu Gabrella Lorenza Maria Alvensia Lute Maria Fatima Neno Maria Filestina Hiko Maria Helvina Maria Imelda Lopa Maria Marcelina Dua Nurak Maria Marcelina Dua Nurak Maria Nona Elci Lele Maria Triswanti Gaso Maria Yuniati Nona Ade Marsiana Coo Mogi Marsiana Coo Mogi Maximus M Taek Mira Kurniawati Misa, Aljefridus Nita, Angeliana Desimaris Nur Dina Camelia Nurak, Maria Marcelina Dua Nurul Imaniyah Ahmad Nurul Imaniyah AHmad Oktavius Yoseph Tuta Mago Paula Yunita Seku Ra'o Paula Yunita Seku Ra'o Paulina Bewu Lele Ratna Susana Dawa Rofinus Galis S, Mansur Saputra, Mansur Sari, Dewi Ratih Tirto Sri Sulistyaningsih Natalia Daeng Tiring Sri Sulystyaningsih Natalia Daeng Tiring Sukarman Hadi Jaya Putra Taek, Maximus M Tematan, Yohanes Boli Theopilus W Watuguly Theresia Nona Elci Theresia Nona Elfi Theresia Nona Elfi Ule, Kristina Novita Ustiatik, Reni Vincentius, Angelinus Wa Ode Ujiana Wa Ode Ujiana Yoga Tribakti Rachmad Yoga Tribakti Rachmad Yohanes Boli Tematan Yohanes Boli Tematan Yohanes Nong Bunga Yosefina Ngongo Yosefina Selmin Yosefina Sizi Yosefina Suryanti Hejo