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Perkembangan Terkini dalam Desain Obat Berbasis Kimia Medisinal Amin, Saeful; Heryanto, Popih; Athaya, Rahil; Fitri, Nabila Ainul
Jurnal Ilmu Medis Indonesia Vol. 5 No. 1 (2025): September
Publisher : Penerbit Goodwood

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35912/jimi.v5i1.4558

Abstract

Purpose: This study aims to describe recent approaches and innovations in drug design rooted in medicinal chemistry, with particular emphasis on the contributions of computational methods and the exploration of natural compounds in the development of new drug candidates. Methodology/Approach: This literature review synthesizes current research on in silico techniques such as molecular docking, QSAR (Quantitative Structure–Activity Relationship), and ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) prediction. It also examines the integration of natural product screening, synthetic compound optimization, and interdisciplinary approaches involving bioinformatics and pharmacogenomics. Results/Findings: Computational approaches have proven effective in reducing time and costs during the early phases of drug discovery. Natural products provide structurally diverse scaffolds with promising biological activities, particularly in the development of anticancer agents. The combination of medicinal chemistry with interdisciplinary fields enhances mechanistic understanding and supports the rational design of novel therapeutics. Conclusions: The convergence of computational innovation and interdisciplinary research significantly enhances the efficiency, precision, and scope of modern drug design, paving the way for more personalized and targeted therapies. Limitations: This study is based solely on secondary data from published literature and does not include empirical validation through laboratory experiments. Contribution: This review offers a comprehensive overview of emerging trends in medicinal chemistry and serves as a valuable reference for researchers, pharmaceutical scientists, and interdisciplinary teams seeking to advance drug discovery efforts.
Eksplorasi Senyawa Alami sebagai Lead Antikanker Payudara dengan Pendekatan In Silico Amin, Saeful; Azijah, Rachma Nur; Gunawan, Febrianti Rizki
Jurnal Ilmu Medis Indonesia Vol. 5 No. 1 (2025): September
Publisher : Penerbit Goodwood

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35912/jimi.v5i1.4560

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Purpose: This study aimed to explore the potential of natural compounds as lead candidates for breast cancer therapy through a medicinal chemistry framework using in silico methods, with the goal of identifying safer and more effective alternatives to conventional treatments. Methodology: A qualitative library-based research design was employed using a systematic literature review of 15 primary national and international journal articles published between 2020 and 2025. The computational tools used in the study included AutoDock Vina and PyRx for molecular docking and virtual screening, SwissADME and pkCSM for ADMET predictions, and GROMACS for molecular dynamics simulations. Results: Several natural compounds, including berberine, ellagic acid, camptothecin, and kaempferol, exhibited strong binding affinities toward key breast cancer molecular targets, such as estrogen receptor (ER), progesterone receptor (PR), HER2, and PD-L1. These compounds formed stable ligand–receptor complexes and showed favorable pharmacokinetic properties, conforming to Lipinski’s Rule of Five, thereby suggesting their viability as lead candidates for further development. Conclusions: This study highlights the promising potential of selected natural compounds as lead structures for breast cancer drug development. The integration of molecular docking, pharmacokinetic prediction, and dynamic simulation provides a robust platform for early phase drug discovery. Limitations: The primary limitation of this study is that in silico simulations do not fully capture complex biological interactions within the human body, including metabolic pathways and immune system responses. Contribution: his study contributes to the fields of medicinal chemistry and pharmaceutical sciences by offering updated insights into the utility of natural compounds as anti-breast cancer agents.
Review Artikel: Pendekatan in Silico dalam Kimia Medisinal tentang Resistensi Antibiotik Amin, Saeful; Mustafidah, Syifa; Nabila, Nazelia Saila; Maharani, Cici
Jurnal Ilmu Medis Indonesia Vol. 5 No. 1 (2025): September
Publisher : Penerbit Goodwood

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35912/jimi.v5i1.4561

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Purpose: This study aimed to explore the utilization of in silico approaches in medicinal chemistry to address the global challenge of antibiotic resistance through faster, more efficient, and innovative drug discovery methods.. Methodology: A systematic literature review was conducted using the Google Scholar, SINTA, PubMed, and ScienceDirect databases. The selected articles highlight computational techniques such as molecular docking, machine learning, and Perturbation Theory and Machine Learning (PTML) models for the identification, screening, and optimization of novel antibiotic candidates. Results: This review reveals that in silico methods significantly accelerate the discovery of potential antibiotics, facilitate the identification of compounds with novel mechanisms of action, improve ligand–target binding predictions, and support the modulation of resistance-related gene expression. The synergy between computational simulations and experimental validation enhances the reliability and efficiency of drug development pipelines. Conclusions In silico approaches offer effective, rapid, and cost-efficient solutions for the discovery of next-generation antibiotics that play a crucial role in the ongoing battle against antimicrobial resistance. Limitations: Despite their advantages, in silico methods have limitations in accurately predicting pharmacokinetics and toxicity profiles, as well as in modelling protein flexibility and complexity of biological systems. Contribution: This study contributes to medicinal chemistry, pharmaceutical science, and biotechnology by providing an integrative framework that supports innovative and resource-efficient strategies for antibiotic development and resistance mitigation.
Potensi Senyawa Kuersetin sebagai Antikanker Payudara melalui Pendekatan Molecular Docking Amin, Saeful; Wihdatunnisa, Imelda; Aisyah, Rohmah; Kurniawan, Yoga Sugama
Jurnal Ilmu Medis Indonesia Vol. 4 No. 1 (2024): September
Publisher : Penerbit Goodwood

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35912/jimi.v4i1.4565

Abstract

Purpose: This study aims to evaluate the potential of quercetin as an anti-breast cancer agent through a molecular docking-based literature review. Quercetin, a natural flavonoid found in various fruits and vegetables, has attracted interest due to its antioxidant, anti-inflammatory, and anticancer properties. This study focuses on its potential interaction with key molecular targets associated with breast cancer progression.. Methodology: A systematic literature review was conducted using peer-reviewed articles published between 2015 and 2024, sourced from major scientific databases such as PubMed, Scopus, and ScienceDirect. The review focused on molecular docking studies that assessed quercetin's interaction with three principal breast cancer target proteins: Human Epidermal Growth Factor Receptor 2 (HER-2), 2W3L (a mutant form of the Estrogen Receptor), and Sirtuin 1. Results: Quercetin demonstrated strong binding affinities, with docking scores ranging from -8.0 to -9.5 kcal/mol for HER-2 and 2W3L, indicating stable and favorable interactions. These interactions suggest that quercetin may interfere with breast cancer cell signaling pathways. Conclusion: The findings suggest that quercetin holds significant promise as an anti-breast cancer compound, particularly through its stable interaction with HER-2 and 2W3L. Nonetheless, further in vitro and in vivo studies are essential to validate these in silico findings and evaluate its pharmacokinetic and pharmacodynamic properties.. Limitations: This study is limited to computational data without experimental validation. Contribution: This review supports the potential of quercetin in breast cancer drug discovery and highlights the importance of structure-based drug design in identifying novel therapeutic agents.
Enhancing Menstrual and Reproductive Health Knowledge Among Non-Health Students Through Educational Interventions Amin, Saeful; Pebiansyah, Anisa; Alifiar, Ilham; Anna Yuliana; Neng Widy Widiyawati; De Hiban Fauzan Mabruro; Febriana Nur Anggraeni
ABDIMAS: Jurnal Pengabdian Masyarakat Vol. 8 No. 1 (2025): ABDIMAS UMTAS: Jurnal Pengabdian Kepada Masyarakat
Publisher : LPPM Universitas Muhammadiyah Tasikmalaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35568/abdimas.v8i1.6182

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Menstruation refers to the shedding of the uterine lining in the absence of fertilization, which occurs monthly in the female reproductive system. However, knowledge regarding menstruation is often inadequate, particularly among non-health students. This community service activity aimed to improve understanding of reproductive health through education. The study employed a one-group pre-posttest design with total sampling, involving 29 non-health female students from a university in Tasikmalaya. The pretest results showed an average score of 47.31, which significantly increased to 93.59 in the posttest. Participants with good knowledge increased from 2 to 29, while those with poor and moderate knowledge levels dropped to zero. Statistical analysis indicated a significant improvement after the educational intervention (p = 0.000). These findings demonstrate that reproductive health education effectively increases knowledge, particularly among non-health students. This initiative supports developing similar educational programs to enhance awareness and hygiene in reproductive health, ultimately improving public health quality.
Optimalisasi Penyuluhan Kesehatan dalam Meningkatkan Pengetahuan Keluarga Pasien Tentang Penyakit Asma : Studi Pretest-Posttest di RSUD dr. Soekardjo Tasikmalaya Amin, Saeful; Anisa, Anis; Afifah, Fitri Nur; Nurahman, Rima Putri; Destian, Lufi; Fuadah, Iga Syamratul; Saputra, Erwin Yuliana
Jurnal Pengabdian Masyarakat: Pemberdayaan, Inovasi dan Perubahan Vol 5, No 3 (2025): JPM: Pemberdayaan, Inovasi dan Perubahan
Publisher : Penerbit Widina, Widina Media Utama

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.59818/jpm.v5i3.1654

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Asthma is a chronic disorder of the respiratory tract characterized by the appearance of symptoms such as shortness of breath, coughing, wheezing, chest tightness that appear repeatedly and vary. This study aims to evaluate the effectiveness of health education in improving the knowledge of patient families about asthma. The pretest-posttest study was conducted at Dr. Soekardjo Tasikmalaya Hospital on 12 participants with interventions in the form of lectures and leaflet presentations. The results of the paired t-test showed a significant increase p = 0.002 (p 0.05) in the knowledge score after education. This indicates that the increase in score after the provision of material has statistical significance. These findings support the importance of education programs as an effort to control asthma in the community.ABSTRAKAsma adalah gangguan kronis pada saluran pernapasan yang ditandai dengan munculnya gejala seperti sesak napas, batuk, mengi, sesak dada yang muncul secara berulang dan bervariasi. Penelitian ini bertujuan untuk mengevaluasi efektivitas penyuluhan kesehatan dalam meningkatkan pengetahuan keluarga pasien tentang penyakit asma. Studi pretest-posttest dilakukan di RSUD dr. Soekardjo Tasikmalaya pada 12 peserta dengan intervensi berupa ceramah dan penyajian leaflet. Hasil uji paired t-test menunjukan peningkatan signifikan p=0,002 (p0,05) pada skor pengetahuan pasca penyuluhan. Hal tersebut menandakan bahwa peningkatan skor setelah pemberian materi memiliki signifikansi secara statistik. Temuan ini mendukung pentingnya program edukasi sebagai upaya pengendalian penyakit asma dikomunitas.
Effects of pH on the Stability of Monascus purpureus Red Yeast IR-64 Rice (MpRYR) Extract Shaleha, Resha Resmawati; Yuliana, Anna; amin, Saeful; Sumiwi, Sri Adi; Levita, Jutti
Indonesian Journal of Pharmaceutical Science and Technology Vol 12, No 2 (2025)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijpst.v12i2.59599

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Monascus purpureus red yeast rice (MpRYR), popularly known as angkak, is a Chinese fermented rice health product. The red pigments and monacolin K contained in MpRYR are sensitive to various factors, including acidity, temperature, oxidation, and light; thus, MpRYR is unstable and susceptible to damage during storage and processing. It was reported that monacolin K in red yeast rice solution was easily degraded under thermal treatment at 85–121°C, and the absorbance of MpRYR extract increased at an alkaline pH. This work aimed to study the effects of pH on the stability of pigment extract  MpRYR. MPRYR was purchased from Raja Godhong herbal supplier and extracted with 70% ethanol for 3 × 24 h. The resulting MpRYR extracts were subjected to various pH conditions, and the pH and absorbance were measured, and the degradation rate of MpRYR extracts was calculated. The initial pH of MpRYR extract is 5.75, which increased to 5.97 (+3.82%) at 3 h. The MpRYR extract was more stable in an acidic medium with a degradation rate of 3.80% at 3 h. Research results suggest that acidic conditions are preferable for storing and formulating MpRYR-based products to preserve their functional efficacy.
Edukasi dan Pemberdayaan Masyarakat untuk upaya penurunan angka stunting dengan program Gerakan Masyarakat Cegah Stunting (GEMASTING) di Dusun Ciakar, Desa Sukaratu, Kecamatan Sukaratu, Kabupaten Taskmalaya Herawati, Tantri; Maria, Hana Diana; Amin, Saeful; Wibisono, Mohammad Alfin; Apriliani, Cici; Paridah, Dea Nur; Wardiah, Shelya Nurul
Jurnal Kreativitas Pengabdian Kepada Masyarakat (PKM) Vol 8, No 9 (2025): Volume 8 No 9 (2025)
Publisher : Universitas Malahayati Lampung

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33024/jkpm.v8i9.22080

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ABSTRAK Stunting merupakan salah satu permasalahan gizi kronis yang masih menjadi tantangan utama di Indonesia, khususnya di wilayah pedesaan seperti Dusun Ciakar, Desa Sukaratu, Kabupaten Tasikmalaya. Kegiatan ini bertujuan untuk meningkatkan pengetahuan ibu mengenai pencegahan stunting melalui edukasi berbasis komunitas. Metode yang digunakan adalah ceramah, diskusi, serta pre-test dan post-test untuk mengukur peningkatan pengetahuan. Materi penyuluhan meliputi pengenalan stunting, pentingnya 1000 Hari Pertama Kehidupan (HPK), konsep gizi seimbang berbasis pangan lokal, serta edukasi “Isi Piringku”. Hasil evaluasi menunjukkan adanya peningkatan signifikan rata-rata skor pengetahuan peserta dari 79,44 menjadi 94,72. Penyuluhan ini terbukti efektif dalam meningkatkan pemahaman ibu mengenai pencegahan stunting. Keterlibatan kader dan tokoh lokal turut memperkuat keberhasilan kegiatan. Dengan peningkatan pengetahuan ini diharapkan dapat membentuk perilaku positif dalam pengasuhan dan pemenuhan gizi anak, sehingga mendukung upaya penurunan angka stunting secara berkelanjutan. Kata Kunci: Stunting, Edukasi Kesehatan, Gizi Seimbang, Pangan Lokal, Kesehatan Anak   ABSTRACT Stunting is one of the chronic nutritional problems that remains a major challenge in Indonesia, particularly in rural areas such as Ciakar Hamlet, Sukaratu Village, Tasikmalaya Regency. This activity aims to improve mothers' knowledge about stunting prevention through community-based education. The methods used include lectures, discussions, and pre-tests and post-tests to measure knowledge improvement. The educational materials covered an introduction to stunting, the importance of the first 1,000 days of life (HPK), the concept of balanced nutrition based on local foods, and the “Isi Piringku” (My Plate) education program. Evaluation results showed a significant increase in the average knowledge score of participants from 79.44 to 94.72. This educational program proved effective in improving mothers' understanding of stunting prevention. The involvement of community health workers and local leaders further strengthened the success of the activity. With this increased knowledge, it is hoped that positive behaviors in child care and nutrition will be fostered, thereby supporting sustained efforts to reduce stunting rates.  Keywords: Stunting, Health Education, Balanced Nutrition, Local Food, Child Health 
Literature Review: Potensi Senyawa Alkaloid Dalam Inhibisi Enzim Asetilkolinerase Melalui Pendekatan In Silico Untuk Terapi Alzheimer Annisa, Hilma Tri; Amin, Saeful
Madani: Jurnal Ilmiah Multidisiplin Vol 3, No 8 (2025): September
Publisher : Penerbit Yayasan Daarul Huda Kruengmane

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.5281/zenodo.17283347

Abstract

Alzheimer’s disease is a major neurodegenerative disorder characterized by progressive cognitive decline, memory loss, and behavioral impairment. A therapeutic approach widely employed is the inhibition of acetylcholinesterase (AChE) to sustain acetylcholine levels in the synaptic cleft. Alkaloids, abundantly found in medicinal plants, have demonstrated promising activity as AChE inhibitors. With advances in computational techniques, in silico methods including molecular docking, molecular dynamics (MD), density functional theory (DFT), and ADMET prediction are increasingly used to evaluate molecular interactions efficiently prior to in vitro or in vivo validation. This study aims to review the potential of alkaloids in inhibiting AChE through in silico approaches for Alzheimer’s therapy. A systematic literature review was conducted using PubMed, ScienceDirect, ResearchGate, and Google Scholar with structured keywords, covering publications from 2015 to 2025. Out of 15 identified studies, 10 were screened, and 5 met eligibility criteria. The findings indicate that key alkaloids such as berberine, palmatine, huperzine A, and biflavanone exhibited binding affinities comparable to or greater than standard ligands, with stable hydrogen bonding and hydrophobic interactions at the catalytic active site (CAS) and peripheral anionic site (PAS) of AChE. Studies by Qi et al. (2022) and Rawat et al. (2024) confirmed these results through in vitro validation, while Guo et al. (2020) and Negru et al. (2025) reported favorable ADMET profiles supporting their pharmacokinetic feasibility. In conclusion, alkaloids represent strong candidates for Alzheimer’s therapy via AChE inhibition, and in silico strategies play a pivotal role in accelerating active compound screening and drug development efficiency.
Pembangunan Sumber Daya Manusia Indonesia Di Era Digital: Pembahasan Pada Seminar Oleh Dosen Lintas Perguruan Tinggi Wahyoedi, Soegeng; Apramilda, Riesna; Rais, Rinovian; Kushariyadi; Judijanto, Loso; Amin, Saeful; Syofya, Heppi; Anshori, M. Isa
Journal Of Human And Education (JAHE) Vol. 4 No. 6 (2024): Journal of Human And Education (JAHE)
Publisher : Universitas Pahlawan Tuanku Tambusai

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31004/jh.v4i6.1709

Abstract

Seminar yang diadakan oleh kolaborasi lintas perguruan tinggi dengan mengangkat tema besar pembangunan sumber daya manusia Indonesia di era digital bertujuan untuk memberikan edukasi dan wawasan pada para peserta tentang bagaimana upaya dan strategi yang perli disiapkan oleh organisasi hari ini dan juga dosen sebagai tenaga pendidikan di perguruan tinggi dalam membangun kapasitas serta kesiapan mental dari peserta didik, agar mereka mampu bersaing dengan sumber daya manusia lainnya di era digital. Topik dari seminar adalah tentang membangun kesiapan manusia Indonesia agar memiliki kualitas dan kompetensi di era digital. Peserta yang mayoritas dosen diharapkan mampu mengambil bagian dan menjadi agen perubahan di institusi nya masing-masing. Dosen memiliki peran dan andil penting dalam mempersiapkan setiap lulusan yang mumpuni dan mampu berkontribusi dalam menghadapi tantangan Indonesia emas. Tidak hanya dosen, namun perguruan tinggi sebagai pilar terakhir dalam proses pendidikan juga diharapkan mampu mengakomodir dan memfasilitasi proses pembentukan kapasitas dari setiap lulusan. Seminar diadakan pada hari Sabtu, 14 September 2024 secara daring melalui aplikasi zoom. Seminar terselenggara atas kerjasama lintas perguruan tinggi di Indonesia. Simpulan dari kegiatan seminar adalah bahwa organisasi hari ini membutuhkan tenaga kerja yang terampil dan mahir dalam menggunakan dan mengoperasikan peralatan digital baik itu untuk tujuan operasional ataupun strategis, sehingga kapasitas dari lulusan harus disiapkan dengan sangat matang oleh setiap tenaga pendidik agar tercipta manusia Indonesia yang punya kualifikasi handal di era digital.
Co-Authors Abdurrahman, Muhammad Iqmal Afifah, Fitri Nur Aisyah, Rohmah Ala Anistia Widya Albar, Haikhal Mohammad Allita, Nur Almulki, Muhamad Fathir Amelya, Risna Anisa, Anis Anna Yuliana, Anna Annisa, Hilma Tri Apriliani, Cici Ardian, Mohamad Idwar Ariyanti, Ira Akhira Arman, Siti Alisa Assafa, Zifa Athaya, Rahil Auliya, Shafa Awalia, Najla Nisa Az Zahra, Siti Zulfa Azijah, Rachma Nur Azzahra, Shafa Meyliana Chahyani, Shahila Nor Claudya, Stefanie De Hiban Fauzan Mabruro Destian, Lufi Dhata, Khayra Revaline Aulya Fadli Fadli Fajrin, Ari Muhammad Fatihatul Makia, Fina Fauzi, Rifqi Ahmad Febriana Nur Anggraeni Firdaus, Renno Zikrya Fitri, Nabila Ainul Fitria, Annisya Ahya Friana, Derina Agus Fuadah, Iga Syamratul Gunawan, Febrianti Rizki Guspiana, Rudi Hasanah, Muna Shintya Heppi Syofya, Heppi Herawati, Tantri Herdianti, Nita Heryanto, Popih Huda, Dian Fitri Kulyatul Hurry, Zulfan Alfairuz Zabbady Husen, Desinta Nurohman Ibadurrahman, Rifki Ilham Alifiar, Ilham Imani, Anneu Deanti Ira Rahmiyani Jannah, Isma Aenul Judijanto, Loso Justicia, Adhisty Kharisma Jutti Levita Khaerina, Yunisa Kurniawan, Yoga Sugama Kushariyadi Kusumadewi, Fitria Balqis M, Maesaroh ma'aruf, Muhammad alliful Maharani, Cici Maharani, Komang Dewi Maria, Hana Diana Meilani, Yeni Muhtar, Nenden Laila Nurafifah Mulhimah, Ai Mustafidah, Syifa Nabila, Nazelia Saila Nabila, Tiana Zulfa Nadhira Alika Putri Nazilaturrohmah, Dini Neng Widy Widiyawati Nurahman, Rima Putri Nurassyifa, Reva Puspa Rizkia Nurcahya, Eulis Paridah, Dea Nur Pebiansyah, Anisa Pitara, Devi Pujiyani, Delya Putri, Listya Nurina Rahmawati, Desti Rais, Rinovian Ramdani, Muhammad Nabil Ramdhiani, Nova Dwi Rangga Pratama, Andi Riedho Prima Cahya Riesna Apramilda Riska Prasetiawati, Riska Rizky Pratama Putra Rusdaita, Febia Citraeni Rusiyana, Nisrina Putri Salimah, Suci Intan Salsabila Adlina Saputra, Erwin Yuliana Satria, Deagi Taufik Shaleha, Resha Resmawati Slamet Ibrahim - Soegeng Wahyoedi Sophi Damayanti Sri Adi Sumiwi Sudrajat, Nisya Aulia Rahmatillah Sumantri, Tri Adi Sumardiawan, Dhiyaa Kaamilah Supriatna, Galuh Taruna Syamsudin, Atasya Taufik Hidayat Tia Setiawati Wardiah, Shelya Nurul Wibisono, Mohammad Alfin Wihdatunnisa, Imelda Yuliani, Renny Yulianingsih, Tipani Sri Yulianingsih Yustianti, Fitria Zahra, Hanum Nurannisa Zahra, Naila Maulida Zain, Dichy Nuryadin Ziani, Ziani