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All Journal Journal of Tropical Life Science : International Journal of Theoretical, Experimental, and Applied Life Sciences Bioscience El-Hayah : Jurnal Biologi Biota: Jurnal Ilmiah Ilmu-Ilmu Hayati Biosfer: Jurnal Tadris Biologi Biogenesis: Jurnal Ilmiah Biologi Prosiding Seminar Biologi Jurnal Florea Al-Kimia Jurnal BIOEDUIN : Program Studi Pendidikan Biologi Jurnal Penelitian dan Pengkajian Ilmu Pendidikan: e-Saintika Jurnal Jejaring Matematika dan Sains JSMARTech : Journal of Smart Bioprospecting and Technology Spizaetus: Jurnal Biologi dan Pendidikan Biologi Jurnal Ilmiah Medicamento Jurnal Biosense Jurnal Farmasi Tinctura Jurnal Penelitian Sains dan Pendidikan (JPSP) As-Sidanah : Jurnal Pengabdian Masyarakat Medical Sains : Jurnal Ilmiah Kefarmasian Jurnal Sylva Lestari Makara Journal of Science Journal of Life Science and Technology Jurnal Farmasi Ma Chung: Sains, Teknologi, dan Klinis Komunitas Medical Sains : Jurnal Ilmiah Kefarmasian Alamtana
Sari, Dewi Ratih Tirto
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Religion Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemistry Computer Science & IT Decision Sciences, Operations Research & Management Earth & Planetary Sciences Economics, Econometrics & Finance Education Energy Environmental Science Health Professions Immunology & microbiology Languange, Linguistic, Communication & Media Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Neuroscience Physics Public Health Social Sciences Other

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Journal : Bioscience

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In silico study of columbin from Tinospora crispa L as dihydrofolate reductase-thymidylate synthase (DHFR-TS) inhibitor Yohanes Bare; Dewi Ratih Tirto Sari; Lydia Efliani Coriessa Meak; Marsiana Coo Mogi
Bioscience Vol 6, No 1 (2022): Biology
Publisher : UNIVERSITAS NEGERI PADANG

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24036/0202261116090-0-00

Abstract

The Brotowali plant is used to treat malaria. Tinospora crispa L contains active compounds that are good for health and has been widely used for medicine. Crude extract from Tinospora crispa L can be used as target dihydrofolate reductase-thymidylate synthase (DHFR-TS). This research study was to analyse the potential chemical content of Tinospora crispa L in the form of columbine compounds as a focus of malaria therapy through inhibition of dihydrofolate reductase-thymidylate synthase (DHFR-TS). In silico research method, columbine (CID: 188289) ligand was obtained from Pubchem while DHFR-TS (PDB ID 2bl9) protein was obtained from Protein Data Bank, ligands and proteins were interacted using HEX 8.0.0.0 and visualised using discovery studio. The results obtained are six amino acid residues that bind to the DHFR-TS protein. This binding has an impact on the work function of the DHFR-TS protein. Physicochemical analysis shows that the ligand acts as a donor and acceptor so that the protein is formed and the ligand becomes very strong. This interaction is also supported by amino acid residues that act as supports by forming Van der Waals forces outside of the Van hydrogen bonding forces, pi-Alkyl and Pi also provide support in order to increase the strength and stabilisation of the. Based on the discussion, it can be concluded that the columbine content in Tinospora crispa L has potential as a therapy and treatment for malaria through inhibition of DHFR-TS.Tanaman Brotowali digunakan untuk mengobati penyakit malaria. Tinospora crispa L mengandung senyawa aktif yang baik untuk kesehatan dan telah banyak digunakan untuk pengobatan. Ekstrak kasar dari Tinospora crispa L dapat digunakan sebagai target dihydrofolate reductase-thymidylate synthase (DHFR-TS). Penelitian ini bertujuan untuk menganalisis potensi kandungan kimia Tinospora crispa L berupa senyawa kolumbin sebagai fokus terapi malaria melalui penghambatan dihydrofolate reductase-thymidylate synthase (DHFR-TS). Metode penelitian in silico diperoleh ligan kolumbin (CID: 188289) dari Pubchem sedangkan protein DHFR-TS (PDB ID 2bl9) diperoleh dari Protein Data Bank, ligan dan protein diinteraksikan menggunakan HEX 8.0.0.0 dan divisualisasikan menggunakan discovery studio. Hasil yang diperoleh adalah enam residu asam amino yang berikatan dengan protein DHFR-TS. Pengikatan ini berdampak pada fungsi kerja protein DHFR-TS. Analisis fisikokimia menunjukkan bahwa ligan berperan sebagai donor dan akseptor sehingga protein yang terbentuk dan ligan menjadi sangat kuat. Interaksi ini juga didukung oleh residu asam amino yang bertindak sebagai pendukung dengan membentuk gaya Van der Waals di luar gaya ikatan hidrogen Van, pi-Alkil dan Pi juga memberikan dukungan dalam rangka meningkatkan kekuatan dan stabilisasi. Berdasarkan pembahasan dapat disimpulkan bahwa kandungan kolumbin pada Tinospora crispa L berpotensi sebagai terapi dan pengobatan malaria melalui penghambatan DHFR-TS.
Prediction Potential Chlorogenic Acid As Inhibitor Ace (In Silico Study) Yohanes Bare; Dewi Ratih Tirto Sari; Yoga Tribakti Rachmad; Sri Sulistyaningsih Natalia Daeng Tiring; Apriani Herni Rophi; Fitra Arya Dwi Nugraha
Bioscience Vol 3, No 2 (2019): Biology
Publisher : UNIVERSITAS NEGERI PADANG

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (187.695 KB) | DOI: 10.24036/0201932105856-0-00

Abstract

One of the derivatives of flavonoid explored is chlorogenic acid. Chlorogenic acid has antioxidant and anti-inflammatory activity. Hypertension has support for Angiotensin converting enzyme (ACE) which has a role in regulating the renin-angiotensin system. Hypertension therapy is carried out in inhibit ACE pathway. This study aims to analyze and assess the potential of chlorogenic acid as an anti-hypertensive material by inhibiting the work of ACE. The method used is in silico. Chlorogenic acid ligand was obtained from PubChem while ACE was obtained from RCSB. Interaction of ligand and protein using HEX 8.0.0. Analysis and visualization of the results of interactions using Discovery Study Version 4.1. The results showed an interaction between ligand and protein, namely interactions that occur between chlorogenic acid and sixteen amino acid residues. This interaction produces energy of -292.5cal / mol. This interaction approved the ACE block in the AT-I transformation towards AT-II. Chlorogenic acid has potential as an anti-hypertension material.
Co-Authors Afza, Hadfina Agustina Elizabeth Aini, Fadilatul Ana Maria Ulfa Andri Maulidi Andri Maulidi Angeliana Desimaris Nita Anna Roosdiana Apriani Herni Rophi Arofah, Siti Dina Mega Bare, Yohanes Cairns, James Robert Ketudat Catur Retnaningdyah Dadang Suherman Daeng Tiring, Sri Sulistyaningsih Natalia Devi Rahmawati, Devi Eliyawati Eliyawati Estri Laras Arumingtyas fatchiyah . Fitra Arya Dwi Nugraha Fitraya, Riyatul Frederiksen Novenrius Sini Timba Gabriella Candrakirana Krisnamurti Gabriella Chandrakirana Krisnamurti Handayani, Aisyah Heny Yusuf Ihwan Ihwan Indahsari, Lilin Ika Nur Krisna Pada Krisnamurti, Gabriella Candrakirana Krisnamurti, Gabriella Chandrakirana Kuki, Agustina Dua Lailaty, Intani Quarta Laily Sifaiyah Laily, Siti Lorenza, Margaretha Rika Wahyu Gabrella Luchman Hakim Lydia Efliani Coriessa Meak M A Yohanita Nirmalasari Mansur S Maria Marcelina Dua Nurak Maria Marcelina Dua Nurak Marsiana Coo Mogi Marsiana Coo Mogi Maximus M Taek Nanang Yunarto Nisa, Mujiatun Nita, Angeliana Desimaris Nur Dina Camelia Nurak, Maria Marcelina Dua Oktavius Yoseph Tuta Mago Pahirah, Pahirah Paula Yunita Seku Ra'o Pranoto, M. Eko Pratiwi, Maulidia Riska Raodatul Jannah Rosyidah, A'liyatur S, Mansur Safitri, Anna Sarifah, Lailatus Siti Zamilatul Azkiyah Sri Sulistyaningsih Natalia Daeng Tiring Sri Sulystyaningsih Natalia Daeng Tiring Taek, Maximus M Theopilus W Watuguly Udrika Lailatul Qodri Wa Ode Ujiana Yoga Tribakti Rachmad Yoga Tribakti Rachmad Yusuf, Heny