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All Journal Jurnal Sains dan Teknologi Farmasi Indonesia Indonesian Journal of Chemical Science
Auli , Winni Nur
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Biochemistry, Genetics & Molecular Biology Chemistry Immunology & microbiology Medicine & Pharmacology Physics Public Health

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STUDI IN SILICO METABOLIT AKTIF GOLONGAN ALKALOID DARI Ficus fitulosa TERHADAP RESEPTOR HIV-1 RT Auli, Winni Nur; Billa, Firly Shalsha; Zusela, Titah; Aulia, Nanda; Anjani, Arfina Puteri; Sarini, Sarini; Utami, Firanti Putri; Ummi, Ummi; Utami, Widia; Saputro, Anjar Hermadi
Jurnal Sains dan Teknologi Farmasi Indonesia Vol 13, No 2 (2024)
Publisher : Sekolah Tinggi Farmasi Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.58327/jstfi.v13i2.245

Abstract

Human Immunodeficiency Virus (HIV) atau Acquired Immune Defisiency Syndrome (AIDS) merupakan salah satu penyakit yang sulit ditangani. Hingga kini, belum ada pengobatan dalam menangani serta mencegahnya. Ficus fistulosa diketahui memiliki metabolit aktif berupa alkaloida yang memiliki aktivitas sebagai antiviral yaitu; thyloporine, phenanthroindolizidine, antofine, secoantofine, thylocrebrine, dan septicine. Penelitian ini bertujuan untuk mengetahui potensi F. fistulosa sebagai pengobatan terbaru pada terapi HIV secara in silico. Metode yang digunakan di dalam penelitian ini yaitu molekuler docking menggunakan software Autodock, Avogadro, serta BIOVIA Discovery Studio Visualizer 2021. Berdasarkan hasil penelitian, diketahui bahwa binding energy yang diperoleh pada senyawa dari golongan alkaloida pada F. fistulosa yaitu senyawa antofine memiliki nilai ikatan sebesar -9,21 kcal/mol dan nilai ikatan ligan alami sebesar -9,91.kcal/mol antofine memiliki potensi sebagai agen anti HIV. 
In Silico Study: Andrographolide Compounds and Their Derivatives as Antimalarials Targeted at PfENR Auli , Winni Nur; Ramadhani, Syanindita Lulu; Firgianti, Sinta Rani; Sigalingging, Yonathan Adi Nugroho; Hasnaussalim, Hamidah; Yuliana , Rita; Saputri, Syabina Sofa
Indonesian Journal of Chemical Science Vol. 14 No. 1 (2025): Indonesian Journal of Chemical Science
Publisher : Prodi Kimia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15294/ijcs.v14i1.6313

Abstract

Malaria is an infectious disease that poses a significant danger due to its potential to cause severe anemia. The malaria parasite comes from the genus Plasmodium, which can attack erythrocytes. In recent years, good target proteins have been discovered as antimalarials. The target protein is taken from the type II fatty acid biosynthesis pathway, the fatty acid specific to Plasmodium falciparum is Enoyl Acyl Carrier Protein Reductase (PfENR). This study aims to evaluate the antimalarial activity of the Andrographolide compound which targets PfENR using in silico as an alternative for developing new drugs. Evaluation of the Andrographolide compound was carried out in silico with Autodock Tools and Biovia Discovery Studio Visualizer, then compared between the native ligand and the target compound, and the compound with the best interaction was determined so that it could provide a maximum therapeutic effect on the target compound. This research shows that the Andrographiside compound has a lower binding affinity, compared to native ligan is  -5.94 kkal/mol and other compounds, namely -8.21 kkal/mol, so it has better bonding affinity, and the bond is reversible, making it suitable for developing new drugs. However, the Andrographiside compound still requires further molecular modifications to comply with Lipinski's rules.
Co-Authors Anjani, Arfina Puteri Anjar Hermadi Saputro Aulia, Nanda Billa, Firly Shalsha Firgianti, Sinta Rani Hasnaussalim, Hamidah Ramadhani, Syanindita Lulu Saputri, Syabina Sofa Sarini, Sarini Sigalingging, Yonathan Adi Nugroho Ummi, Ummi Utami, Firanti Putri Utami, Widia Yuliana , Rita Zusela, Titah