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Kajian In Silico Senyawa Turunan Flavonoid Terhadap ER-α Sebagai Antikanker Payudara Dinata, Deden Indra; Muttaqin, Fauzan Z.; Sodik, Jajang J.; Irfani, Abdul M.
Indonesian Journal of Pharmaceutical Science and Technology Vol 12 (2025): Vol. 12 Suppl. 2 (2025)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijpst.v12i0.60035

Abstract

Di Indonesia, terdapat 65.858 kasus kanker payudara dengan angka kematian 22.430 jiwa. Pengobatan lini pertama kanker payudara melibatkan penggunaan Selective Estrogen Receptor Modulators (SERM), salah satunya adalah Tamoxifen. Turunan flavonoid telah terbukti secara farmakologi efektif dalam pengobatan kanker dan dapat menginduksi apoptosis sel. Penelitian dilakukan terhadap 103 turunan flavonoid menggunakan metode simulasi molecular docking dan dinamika molekul dengan Autodock versi 4.2.3, dengan parameter observasi Ki dan ∆G, sedangkan simulasi dinamika molekul menggunakan aplikasi AMBER 18 dengan parameter RMSD, RMSF, dan MMGBSA serta ikatan hidrogen. Berdasarkan hasil penambatan molekuler, senyawa scutellarein, maritimin, baicalein, maesopsin, formononetin, calycosin, pratensein, biochanin A, sulfuretin, dan eriodyctiol menunjukkan potensi sebagai antagonis ERα dengan nilai Ki yang lebih baik dibandingkan ligan alami. Berdasarkan parameter simulasi dinamika molekul, stabilitas pengikatan dan aktivitas antagonis dari turunan flavonoid ini terhadap ERα sebanding namun sedikit lebih rendah dibandingkan tamoxifen. Analisis simulasi dinamika molekul mengungkapkan bahwa meskipun senyawa flavonoid ini menunjukkan nilai Ki yang menjanjikan, stabilitas interaksi keseluruhan senyawa-senyawa ini dengan ERα kurang menguntungkan dibandingkan tamoxifen, seperti yang ditunjukkan oleh parameter dinamika molekul gabungan.
Herbal-Based Community Training For Hypertension Prevention Using TENSITEA Anggraeni, Vina Juliana; Roni, Asep; Mutmainah, Siti Saidah; Yuliantini, Anne; Dinata, Deden Indra
Karya Kesehatan Siwalima Vol 4, No 2 (2025): September
Publisher : Lembaga Penerbitan Fakultas Kesehatan, Universitas Kristen Indonesia Maluku

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.54639/kks.v4i2.1687

Abstract

Hypertension remains one of the most prevalent non-communicable diseases worldwide and is increasingly becoming a health burden in Indonesian communities. Limited knowledge about hypertension and the lack of access to preventive strategies contribute to its high incidence in rural areas. This community empowerment program was conducted to improve public understanding of hypertension and to provide practical training on the production of a herbal tea formulation, known as Tensi Tea, using locally available ingredients such as breadfruit leaves, bay leaves, and cinnamon. The activity took place in Mandalawangi Village and involved community members, local health cadres, and students. The program was implemented in several stages, including educational sessions on hypertension prevention, interactive discussions, and hands-on training in harvesting, processing, and packaging herbal ingredients into tea bags. Participants were actively engaged, demonstrated high enthusiasm, and were able to produce the herbal tea product independently by the end of the training. The results showed an increase in community knowledge regarding risk factors and prevention of hypertension, as well as enhanced skills in producing a simple herbal preparation that has the potential to support both health promotion and local economic opportunities. In conclusion, education on hypertension prevention, accompanied by training on herbal tea, is an effective strategy to empower communities. It is recommended that similar programs be expanded to other rural areas and supported by local health services to ensure sustainability.
Molecular Docking and Molecular Dynamics Study of Phlorotannin-Derived Metabolites from Brown Macroalgae (Sargassum sp.) as Potential α-Amylase Inhibitors Asnawi, Aiyi; Silviana, Lilis; Andriansyah, Ivan; Kurnia, Dewi; Febrina, Ellin; Dinata, Deden Indra
Jurnal Kimia Riset Vol. 10 No. 2 (2025): December
Publisher : Universitas Airlangga, Campus C Mulyorejo, Surabaya, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20473/jkimris.v10i2.75900

Abstract

Type 2 diabetes mellitus (T2DM) is a widespread global health issue, characterized by insulin resistance and impaired a-amylase activity—an enzyme essential for carbohydrate metabolism. Phenolic compounds derived from brown macroalgae have been identified as potential a-amylase inhibitors and are promising candidates for the development of novel antidiabetic agents. This study aimed to explore the molecular interactions between phlorotannin-derived metabolites from Sargassum sp. and the α-amylase enzyme (PDB ID: 1B2Y) through in silico approaches, including molecular docking and molecular dynamics simulations. Molecular docking was performed using AutoDock 4.2, followed by molecular dynamics (MD) simulations using GROMACS to assess the stability of the ligand–enzyme complexes. The results revealed that dieckol (S06) and 6,6′-bieckol (S07) showed the strongest binding affinity with a docking score of -9.57 and -8.95 kcal/mol, respectively and the most favorable binding free energy (ΔTOTAL -56.87 kcal/mol), suggesting its strong potential for stable interaction with the enzyme. These results highlight the potential of dieckol and 6,6′-bieckol as effective α-amylase inhibitors.
Co-Authors Abdillah, Lutfi Aiyi Asnawi Andriansyah, Ivan Anggraeni, Vina Juliana Bintang, Muhamad Ilham Darwati Darwati Dewi Kurnia Dinayanti, Westi Nur Ellin Febrina Fadjar, Achmad Farizan Nur Fazrina Firdaus, Oktri Muhammad Garnadi Jafar, Garnadi Hardhi Suryatno, Hardhi Helena, Deni Fransisca Ida Musfiroh, Ida Idar, Idar Irfani, Abdul M. KOSASIH KOSASIH, KOSASIH Mutmainah, Siti Saidah Muttaqin, Fauzan Z. Muttaqin, Fauzan Zein Nani, Shinta Ayu Nurdiansyah, Ilyas Pertiwi, Nisa Indah Qomarilla, Nurul Rani Maharani Roni, Asep Septianti, Regina Dwi Shelvy E Suherman, Shelvy E Silviana, Lilis Siti Rokhmah Sodik, Jajang J. Tenny Putri Wikayani, Tenny Putri Tri Mayanti Unang Supratman Yuliantini, Anne