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All Journal Pharmaciana: Jurnal Kefarmasian Media Farmasi : Jurnal Ilmu Farmasi (Journal Of Pharmaceutical Science) Jurnal Akuntabilitas Manajemen Pendidikan Jurnal Sains dan Teknologi Farmasi E-Dimas: Jurnal Pengabdian kepada Masyarakat Empowerment : Jurnal Pengabdian Masyarakat Farmasains : Jurnal Ilmiah Ilmu Kefarmasian Jurnal SOLMA JURNAL EKONOMI PENDIDIKAN DAN KEWIRAUSAHAAN Martabe : Jurnal Pengabdian Kepada Masyarakat PHARMACY: Jurnal Farmasi Indonesia (Pharmaceutical Journal of Indonesia) PengabdianMu: Jurnal Ilmiah Pengabdian kepada Masyarakat JFIOnline Jurnal Ilmu Kefarmasian Indonesia Indonesian Journal of Halal Research International Journal of Economics Development Research (IJEDR) BERNAS: Jurnal Pengabdian Kepada Masyarakat Budapest International Research and Critics Institute-Journal (BIRCI-Journal): Humanities and Social Sciences Entrepreneurship Bisnis Manajemen Akuntansi (E-BISMA) International Journal of Engineering, Science and Information Technology INTERNATIONAL JOURNAL OF CULTURAL AND SOCIAL SCIENCE Jurnal Locus Penelitian dan Pengabdian Pharmaceutical Sciences and Research (PSR) Indonesian Journal of Medical Chemistry and Bioinformatics E-JRM Amkop Management Accounting Review (AMAR) Jurnal Multidisiplin Indonesia Indonesian Journal of Community Empowerment Jurnal Sains dan Kesehatan
Hadi Sunaryo
Fakultas Farmasi Dan Sains Universitas Muhammadiyah Prof. Dr. Hamka
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Journal : Indonesian Journal of Medical Chemistry and Bioinformatics

 1 
A Computational Exploration: Docking Analysis of Compounds from Foeniculum vulgare as Potential Aromatase Inhibitors for Endometriosis Candidate Therapy Suryandari, Dwi Anita; Sari, Puji; Sunaryo, Hadi; Istiadi, Khaerunissa Anbar
Indonesian Journal of Medical Chemistry and Bioinformatics
Publisher : UI Scholars Hub

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Aromatase inhibitors (AI) have controlling symptoms and size of endometriotic implants, making them a promising second-line therapy for endometriosis treatment.pretreatment with letrozole, an AI, combined with leuprolide acetate and resveratrol has been found to improve in vitro fertilization (IVF) outcomes in women mild endometriosis.in this study we screening and analysis of ten phenolic compounds from Foeniculum vulgare using molecular docking with Mcole server.from this results showed that three phenolic trans resveratrol (TR), caempherol coumaril (CC) have low gibbs energy compare with resveratrol (R). The binding modalities of compound TR and compound R were hydrogen-bonding between the hydroxyl and oxygen atom and Thr310 and hydrophobic interactions with Phe187, Ala272, Asp275, Ala189.and compound R exhibited cation-π interactions between Val336 as binding activity from aromatase.aromatase inhibitors and resveratrolfrom fennel lies in the potential of resveratrol to modulate hormonal pathways, including aromatase inhibition.
Molecular Insights into Propylthiouracil as a Thyroid Peroxidase Inhibitor: A Computational Study Approach Suryandari, Dwi Anita; Yunaini, Luluk; Sunaryo, Hadi; Istiadi, Khaerunissa Anbar; Pratomo, Irandi Putra
Indonesian Journal of Medical Chemistry and Bioinformatics
Publisher : UI Scholars Hub

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Thyroid peroxidase (TPO) is a crucial enzyme in the biosynthesis of thyroid hormones, catalyzing the iodination of tyrosine residues in thyroglobulin and the coupling of iodotyrosines to form thyroxine (T4) and triiodothyronine (T3). Propylthiouracil (PTU) is an antithyroid drug commonly used to manage hyperthyroidism by inhibiting TPO. Understanding the molecular interactions between TPO and PTU can provide insights into the inhibitory mechanisms and guide the design of more effective antithyroid medications. Objective: This study aims to elucidate the binding interactions between TPO and PTU through molecular docking, providing a detailed understanding of how PTU inhibits TPO activity. Methods: The three-dimensional structure of TPO was obtained from Prosite and modelling by swissmodel and prepared for docking. The structure of PTU was optimized, and molecular docking was performed using AutoDock. The binding affinity, binding poses, and key interactions between TPO and PTU were analyzed. Visualization of the docking results was performed using PyMOL to identify critical residues involved in PTU binding. Results: The docking analysis revealed that PTU binds effectively to the active site of TPO with a binding affinity of -5.45 kcal/mol. The interaction involves coordination with the heme group and several key residues, including His239, which coordinates the heme, and Ser314, which forms hydrogen bonds with PTU. Additionally, hydrophobic interactions with residues Phe241 and Ile399 stabilize the binding of PTU in the active site. Conclusion: The docking study highlights the significant interactions between PTU and TPO, elucidating the molecular basis of TPO inhibition by PTU. The binding affinity and key interactions identified in this study provide a foundation for the design of more potent antithyroid drugs.
The Prospect of Indonesian Herbal as An Alternative Treatment for Covid-19 Patient: A Literature-Based Study SUNARYO, HADI; Hidayati, Wahyu
Indonesian Journal of Medical Chemistry and Bioinformatics
Publisher : UI Scholars Hub

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Coronavirus disease 2019 (COVID-19) is a new disease caused by a novel coronavirus, Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2). The disease has several symptoms from mild to severe and could lead to death for comorbidities and the elderly. Therefore, the infections and mortality cases keep growing day by day, moreover many authorities are trying to suppress it by applying several health protocols, including medicines. Several studies were conducted on drug discovery from plants to cure the disease. The article aimed to do a narrative review about the prospect of JAMU becoming an alternative medicine to cure COVID-19 by mapping the literature deposited on PubMed which reported medicinal plants as an alternative medicine for COVID-19 by using a text mining program. There are approximately 30,191 articles on PUBMED related to COVID-19 and medicine. Medicinal plants with antiviral and anti-inflammatory activities are the best plants for COVID-19. JAMU, an Indonesian traditional medicine, has an outstanding possibility to be applied in the COVID-19 strategy to recover patients and prevent infections.
Co-Authors . Sediarso . Sediarso . Sediarso, . AA Sudharmawan, AA Adia Putra Wirman Adia Putra Wirman, Adia Putra Aggasy, Savira Yustinah Agustin, Faikotul Wulan Ajiningtyas, Rahtanaya Amin, Muhammad Sirojuddin Amrullah, Angkoso Ahmad Apriyanto, Guntur Ari Widayanti Arini Fitria Mustapita Bariroh, Tahyatul Chamid Alif, A’an Abdul Daram Heriansyah DIAN LESTARI Dwi Anita Suryandari Dwitiyanti Dwitiyanti Dwiyani Sudaryanti Efendi, Feriawan Ekafianti, Firdayani Elly Wardani, Elly Ema Dewanti Etin Diah Permanasari Fahrurrozi Rahman Farida, Eka Fatahillah, Mulki Fikriansyah, M. Firhan Azis Fith Khaira Nursal Fitri Hidayah, Ratna Fujianti, Fujianti Hariati, Wiwik Harijanto, Djony Hariyanti Hariyanti Hariyanti Hariyanti Hayati Hayati Hayati Hayati Hayati, Hayati Ika Resty Kania Ika Resty Kania, Ika Resty Imam Bushiri, Moh Irandi Putra Pratomo Isra, Rafiq Al Jamaliah Jamaliah Jeni Susyanti Kartika Sari, Devel Khaerunissa Anbar Istiadi Khalikussabir, Khalikussabir Khalishatunnada Khalishatunnada Kristiana, Helda Luluk Yunaini Lusi Putri Dwita M. Abi Rafdi M. Agus Salim Al Fathoni Mayangsari, Jihanning Yudha Mobaraq, Moh. Rizki Fajar Mohammad Rizal, Mohammad Muhammad Zaki Sopiani Muhammad Zaki Sopiani, Muhammad Zaki Mukti, Shinta Aulia Cahya Mulki Fatahillah Mulki Fatahillah, Mulki Ni Putu Ermi Hikmawanti Niadianti, Elivia Nikmatullah, Nurul Azmah Numlil Khaira Rusdi, Numlil Khaira Nurjanah, Desi Nurul Amalia Nurul Amalia Nurul Amalia Nurul Azmah Nikmatullah Nurul Azmah Nikmatullah Oktadio Erikardo Pardiman Pardiman Pardiman Permatasari, Indriani Detty Pramiswari, Galih Intan Prasetyo, Rachmad Eka Prasetyo, Rachmad Eka Prisiska, Fahjar Puji Sari Purbasari, Euis Putri, Vera Eselia R, Rizky Arcinthya Rahmadini, Nuriza Rahmat, Amalia Retno Lia Sari Rini Prastiwi Riyanti, Hurip Budi Rizky Arcinthya R Rizky Arcinthya R RIZKY ARCINTHYA RAHMANIA Rizky Rafiqul Safira, Easy Salim, M. Agus Samiratul Mufidah Saraswati, Ety Sari Nurlaily, Sari Sediarso Sediarso, Sediarso Sejati, Eling Rosa Septiana Tri Pamungkas Siska Siska siska siska Siska Siska siska, siska Siti Asiyah Sopiani, Muhammad Zaki Suharto, M. Khoirul Anwarudin Broto Suja’i, Ahmad Yusuf Imam Suriantika, Cipto Suwandini, Amelian Nisa Syahbandono, Tri Hutomo Syahputra, Hafiz Firdaus Taslim, M. Tri Hutomo Syahbandono Tri Hutomo Syahbandono Ulya, Naylia Fadhilatul Vera Ladeska Wahyu Hidayati wardani, teja kusuma Wati Sukmawati Wati Sukmawati Wati Sukmawati Wati, Ice Trisna Zamahsari, Mohammad Fikri