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Studi Komputasional Senyawa Flavonoid Tanaman Obat sebagai Kandidat Agen Antidiabetik Amin, Saeful; Hurry, Zulfan Alfairuz Zabbady; Sumantri, Tri Adi; Fauzi, Rifqi Ahmad
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.v4i1.4553

Abstract

Purpose: This study aimed to investigate the potential of natural flavonoid compounds brazilin, luteolin, and butein as antidiabetic agents by exploring their interactions with key molecular targets in type 2 diabetes mellitus. Methodology/approach: This research was conducted using a computational approach involving molecular docking and pharmacokinetic prediction. Docking simulations were performed using AutoDock Vina and PyRx to evaluate the binding affinity of the selected flavonoids to the enzymes ?-glucosidase, ?-amylase, and glucokinase. Results/findings: The results showed that All three flavonoids exhibited strong binding affinities to ?-glucosidase and ?-amylase, indicating their potential to inhibit carbohydrate-digesting enzymes. Conclutions: Flavonoids from medicinal plants have potential as natural antidiabetic agents by inhibiting glucose-metabolizing enzymes and modulating insulin pathways. Computational studies have shown strong target interactions and favorable pharmacokinetic profiles, although further in vitro and in vivo validation is needed. Limitations: The findings of this study were limited to in silico data, and further validation through in vitro and in vivo experiments is necessary to confirm their effectiveness and safety. Contribution: This research contributes to the field of pharmaceutical sciences and natural product-based drug development, providing valuable insights for researchers and healthcare professionals interested in alternative therapies for diabetes management.
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

Abstract

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

Abstract

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.
Review Artikel: Pendekatan Molecular Docking dalam Penemuan Senyawa Alami sebagai Penghambat Enzim Diabetes Tipe 2 Amin, Saeful; Huda, Muhammad Ismail Sabilul
Science: Indonesian Journal of Science Vol. 2 No. 1 (2025)
Publisher : LPPI Yayasan Almahmudi bin Dahlan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31004/science.v2i1.264

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Pendekatan molecular docking merupakan salah satu metode in silico yang banyak digunakan dalam penemuan obat baru, termasuk senyawa alami yang berpotensi sebagai antidiabetes. Peneltian ini bertujuan untuk mengulas penggunaan molecular docking dalam mengidentifikasi senyawa-senyawa alami sebagai penghambat enzim yang terlibat dalam diabetes melitus tipe 2, khususnya α-glukosidase dan PPAR-γ. Studi dilakukan melalui telaah pustaka dari berbagai artikel ilmiah yang diperoleh dari Google Scholar. Hasil review menunjukkan bahwa beberapa senyawa seperti palmatine, berberine, astaxanthin, canthaxanthin, medicagol, euphol, isorhoifolin, kaempferol, dan skopoletin memiliki afinitas pengikatan yang cukup tinggi terhadap target enzim tersebut. Kaempferol dan skopoletin menunjukkan energi ikatan bebas paling rendah terhadap PPAR-γ, yaitu −10.70 dan −9.81 kcal/mol. Hasil ini menunjukkan bahwa senyawa alami berpotensi menjadi kandidat multitarget untuk pengembangan terapi antidiabetes berbasis fitokimia.
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.
PENYULUHAN KESEHATAN REPRODUKSI BAGI REMAJA DAN IBU-IBU PENGAJIAN Yuliana, Anna; Zain, Dichy Nuryadin; Pebiansyah, Anisa; Amin, Saeful; Rahmiyani, Ira; Alifiar, Ilham; Hidayat, Taufik; Shaleha, Resha Resmawati
JMM (Jurnal Masyarakat Mandiri) Vol 9, No 3 (2025): Juni
Publisher : Universitas Muhammadiyah Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31764/jmm.v9i3.31854

Abstract

Abstrak: Penyuluhan kesehatan reproduksi menjadi aspek penting dalam meningkatkan Penyuluhan kesehatan reproduksi penting untuk meningkatkan pemahaman remaja dan ibu rumah tangga dalam menjaga kebersihan serta kesehatan organ reproduksi. Kurangnya pengetahuan dapat menyebabkan perilaku berisiko, termasuk penyakit menular seksual dan kehamilan dini. Kegiatan pengabdian ini bertujuan untuk mengevaluasi efektivitas penyuluhan kesehatan reproduksi dengan menggunakan media audio visual. Metode yang digunakan terdiri dari penyuluhan langsung, tayangan audio visual dan evaluasi menggunakan pre-test dan pos-test, yang terdiri dari lima belas pertanyaan. Mitra pengabdian merupakan ibu rumahtangga dan remaja putri di lingkungan Masjid Abah Djaedi, Kota Tasikmalaya sebagnyak 76 responden. Hasil evaluasi menunjukan peningkatan pengetahuan yang signifikan, dengan nilai rata-rata sebesar 0,83 dan masuk kedalam kategori tinggi berdasarkan kriteria N-Gain. Kegiatan ini menegaskan penggunaaan media audio visual dapat meningkatkan terserapnya informasi yang lebih efektif dan efesien terutama dalam meningkatan kesehatan reproduksi.Abstract: Reproductive health counseling is an important aspect in improving Reproductive health counseling is important to improve the understanding of adolescents and housewives in maintaining cleanliness and health of reproductive organs. Lack of knowledge can lead to risky behavior, including sexually transmitted diseases and early pregnancy. This community service activity aims to evaluate the effectiveness of reproductive health counseling using audio-visual media. The methods used consist of direct counseling, audio-visual displays and evaluation using pre-test and post-test consisting of fifteen questions. The community service partners are housewives and adolescent girls in the Abah Djaedi Mosque environment, Tasikmalaya City, as many as 76 respondents. The evaluation results showed a significant increase in knowledge, with an average value of 0.83 and entered the high category based on the N-Gain criteria. This activity confirms that the use of audio-visual media can increase the absorption of information more effectively and efficiently, especially in improving reproductive health.
Co-Authors Abdurrahman, Muhammad Iqmal Afifah, Fitri Nur Aisyah, Rohmah Ala Anistia Widya Alfarizi, Andris Allita, Nur Alya, Elsa Amelya, Isti Nisa Amelya, Risna Anggi Setiawan, Rio Anisa, Anis Anna Yuliana, Anna Annisa, Hilma Tri Ansyirohanisa Ansyirohanisa, Ansyirohanisa Apriliani, Cici Aprillia, Ade Yeni Ardian, Mohamad Idwar Arman, Siti Alisa Assafa, Zifa Athaya, Rahil Auliya, Shafa Awalia, Najla Nisa Az Zahra, Siti Zulfa Azijah, Rachma Nur Azzahra, Shafa Meyliana Beni Maulana Habib Cahya, Nabilla Amelia Claudya, Stefanie Darmawan, Muhammad Rahmat De Hiban Fauzan Mabruro Destian, Lufi Dian Eka Pratama, Dian Eka Fadli Fadli Fajarini, Syifa Rizkia Fajrin, Ari Muhammad Fatihatul Makia, Fina Fauzi, Rifqi Ahmad Febriana Nur Anggraeni Fernanda, Refa Fitri, Nabila Ainul Fitria, Annisya Ahya Friana, Derina Agus Fuadah, Iga Syamratul GUNAWAN, ADRI Gunawan, Febrianti Rizki Guspiana, Rudi Harahap, Fithriyah Salsabila Hasanah, Muna Shintya Heppi Syofya, Heppi Herawati, Tantri Herdianti, Nita Heryanto, Popih Huda, Dian Fitri Kulyatul Huda, Muhammad Ismail Sabilul 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 Lansini, Sinka M, Maesaroh Maharani, Cici Maharani, Komang Dewi Maria, Hana Diana Meilani, Yeni Meithasari, Fauziah METI MEGAWATI, METI Muhammad Rahmat Darmawan Muhtar, Nenden Laila Nurafifah Mulhimah, Ai Mustafidah, Syifa Nabila, Liza Salsa Nabila, Nazelia Saila Nabila, Tiana Zulfa Nabila, Yesita Yumna Nadhira Alika Putri Neng Widy Widiyawati Nurahman, Rima Putri Nurassyifa, Reva Puspa Rizkia Nurcahya, Eulis Nurhadiska, Muchamad Nizam Nurliawati, Fadhillathul Paridah, Dea Nur Pebiansyah, Anisa Pitara, Devi Pujiyani, Delya Putri, Listya Nurina Putri, Puspa Virgiantika Adzkia Rachmat, Shinta Widia Rahmawati, Desti Rais, Rinovian Ramadani, Adinda Laisya 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 Sheryl, Vanessa Angelica Slamet Ibrahim - Soegeng Wahyoedi Sophi Damayanti Sri Adi Sumiwi Sudrajat, Nisya Aulia Rahmatillah Sulaeman, Muhammad Ilham Sumantri, Tri Adi Sumardiawan, Dhiyaa Kaamilah Supriatna, Galuh Taruna Syamsudin, Atasya Taufik Hidayat Tia Setiawati Wardiah, Shelya Nurul Weguna, Asti Awaliyah Wibisono, Mohammad Alfin Wihdatunnisa, Imelda Yuliani, Renny Yulianingsih, Tipani Sri Yulianingsih Yustianti, Fitria Zahra, Hanum Nurannisa Zahra, Naila Maulida Zain, Dichy Nuryadin Ziani, Ziani