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All Journal Journal of Tropical Life Science : International Journal of Theoretical, Experimental, and Applied Life Sciences Alchemy Jurnal Penelitian Kimia Biology, Medicine, & Natural Product Chemistry Jurnal Kimia Riset Jurnal Zarah JOPS (Journal Of Pharmacy and Science) JFIOnline Jurnal Ilmu Kefarmasian Indonesia Journal Syifa Sciences and Clinical Research (JSSCR) SANITAS: Jurnal Teknologi dan Seni Kesehatan JURNAL PENDIDIKAN, SAINS DAN TEKNOLOGI Binawan Student Journal Pharmaceutical And Biomedical Sciences Journal (PBSJ) Journal of Social Research Jurnal Ilmiah Farmasi Simplisia Journal of Natural Product for Degenerative Diseases Indonesian Journal of Jamu
Esti Mumpuni, Esti
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Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Decision Sciences, Operations Research & Management Economics, Econometrics & Finance Education Energy Environmental Science Health Professions Immunology & microbiology Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Public Health Social Sciences Other

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Studi In Silico Senyawa Bioaktif pada Daun Yakon (Smallanthus sonchifolius), Kayu Secang (Caesalpinia sappan L.), Daun Salam (Syzygium polyanthum) Sebagai Antidiabetes Mekanisme Kerja Inhibitor SGLT-2 Prasetyo, Andri Prasetyo; Mumpuni, Esti; Rahmadhani, Sekar Harsti; Amin, Saeful
Pharmaceutical and Biomedical Sciences Journal (PBSJ) Vol. 6 No. 2 (2024)
Publisher : Pharmaceutical and Biomedical Sciences Journal (PBSJ)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15408/pbsj.v6i2.39508

Abstract

Diabetes melitus adalah penyakit metabolik yang ditandai dengan hiperglikemia dimana pankreas tidak memproduksi cukup insulin atau tubuh tidak dapat menggunakan insulin secara efektif. Daun yakon, kayu secang dan daun salam memiliki beberapa yang berpotensi sebagai antidiabetes, namun belum diketahui senyawa spesifik mana yang terlibat dalam mekanisme inhibitor SGLT-2. Penelitian ini bertujuan untuk menganalisis potensi senyawa bioaktif yang terkandung dalam Daun yakon, kayu secang dan daun salam dalam menghambat enzim SGLT-2 secara in silico. Data senyawa aktif didapatkan dari laman PubChem. Kristal struktur dari Structure of human SGLT2-MAP17 complex bound with empagliflozin didapatkan dari Protein Data Bank dengan PDB ID: 7VSI. Molecular docking menggunakan Molegro Virtual Docker dan simulasi molecular dynamic menggunakan YASARA Dynamics. Hasil molecular docking didapatkan 4 senyawa memiliki nilai rerank score lebih negative dari senyawa pembanding (empagliflozi). Hasil visualisasi menunjukan residu asam amino yang berperan penting ialah PHE 98 dan VAL 157. Hasil molecular dynamics menunjukan kompleks ligan memiliki kestabilan ikatan paling baik dan stabil dari ligan uji lainnya. Dihasilkan senyawa yang stabil, yaitu 3,4-Dicaffeoyquinic acid.
Study Of The Anti-Obesity Potential Of Chlorogenic Acid Through Molecular Docking Faridah, Faridah; Mumpuni, Esti; Purnomo, Hari; Laksmitawati, Dian Ratih; Simanjuntak, Partomuan
Journal of Social Research Vol. 3 No. 2 (2024): Journal of Social Research
Publisher : International Journal Labs

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55324/josr.v3i2.1910

Abstract

Chlorogenic acid, the primary constituent found in green coffee, is believed to possess anti-obesity properties. Numerous studies have indicated that the etiology of obesity is predominantly influenced by genetic factors. This study employs molecular docking techniques to estimate the effectiveness and toxicity of chlorogenic acid as an anti-obesity agent, focusing on its interaction with PLANTS. Initially, the validation process involved confirming the target cell or receptor (PDB code) which included PPAR-? (3NOA, 2ATH), pancreatic lipase (5ZUN), ghrelin (6ZYF), leptin (3V6O), and melanocortin (6W25, 7F58) through the utilization of YASARA software. In addition, the process of docking chlorogenic acid compounds and a positive control (for comparative purposes) was conducted on target cells utilizing the PLANTS program. The toxicity test and prediction of lethal dose (LD 50) were conducted on active substances and positive controls using the ProTox-II program. Chlorogenic acid exhibits anti-obesity properties by acting as an inhibitor of the ghrelin hormone, as seen by its activity at PDB code 6ZYF with a docking score of -19.7099 higher than the positive controls bupropion -18.5269 and naltrexone -18.5871. Furthermore, it has been determined to possess a generally safe profile, with an LD50 value of 5000 mg/kg body weight. The docking studies indicate that chlorogenic acid exhibits anti-obesity activity specifically at PDB code 6ZYF, where it functions as an inhibitor of the ghrelin hormone. Chlorogenic acid typically exhibits modest efficacy as an anti-obesity agent, hence presenting potential avenues for enhancing its effectiveness by structural modifications
Molekuler Docking Senyawa Fenolik Daun Kelor Terhadap Enzim Collagenase, Elastase, Dan Tyrosinase: Molecular Docking of Phenolic Compounds from Moringa Leaves Against Collagenase, Elastase, and Tyrosinase Enzymes Krismayadi; Mumpuni, Esti; Humaedi, Aji; Sari Wardana, Mutia; Yuliana, Agnes
Binawan Student Journal Vol. 7 No. 2 (2025)
Publisher : Direktorat Penelitian, Pengabdian Masyarakat, Dan Kerjasama Universitas Binawan (DPPMK Universitas Binawan)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.54771/c57mvx68

Abstract

Kulit merupakan organ terbesar, essensial dan berfungsi sebagai sensor luar bagi tubuh yang rentan terhadap penuaan (skin aging) yang dipicu oleh faktor intrisik dan ekstrinsik melalui produksi Reactive oxygen species (ROS). Oksidan ini mempengaruhi aktivitas enzim collagenase, elastase, dan tyrosinase yang berperan dalam degradasi struktur kulit. Dengan demikian perlu adanya pemanfaatan herbal guna meregulasi ketiga enzim tersebut, salah satunya adalah daun kelor yang kaya akan antioksidan. Penelitian ini bertujuan untuk mengetahui aktivitas inhibisi senyawa aktif fenolik daun kelor dengan pendekatan molekular docking. Penelitian dilakukan dengan tahapan meliputi preparasi dan optimasi senyawa ligan, serta makromolekul target, menambatkan koordinat gridbox, pembuatan berkas GPF dan DPF serta simulasi, analisis dan visualisasi hasil docking menggunakan perangkat lunak diantara nya Marvin Sketch 15.5.11, Chimera 1.10.2, PyMol 2.3.3, Discovery Studio V21.1.0.20298, dan Autodock 4.2. Hasil menunjukkan bahwa asam klorogat memberikan ikatan terkuat terhadap collagenase (∆G = -8,54 kkal/mol), sementara asam elagat menunjukkan afinitas tertinggi terhadap elastase dan tyrosinase. Studi ini menyimpulkan bahwa senyawa fenolik daun kelor berpotensi sebagai kandidat anti-aging yang berikatan denganenzim target yang berperan dalam proses penuaan kulit.
Formulation of facial liquid soap wıth 4-(Dimethylamino) chalcone and virgin coconut oil as antibacterial agents against acne-causing bacteria Wulandari, Putri; Mumpuni, Esti; Mulatsari, Esti; Kartiningsih, Kartiningsih
JURNAL ILMU KEFARMASIAN INDONESIA Vol 23 No 2 (2025): JIFI
Publisher : Faculty of Pharmacy, Universitas Pancasila

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35814/jifi.v23i2.1653

Abstract

Acne vulgaris is a multifactorial skin disorder commonly associated with infections caused by Staphylococcus epidermidis and Cutibacterium acnes. This study aimed to develop and evaluate an antibacterial facial liquid soap containing 4-(Dimethylamino) chalcone and virgin coconut oil (VCO). The synthesized chalcone, a flavonoid derivative obtained through the Claisen–Schmidt condensation reaction, was characterized using TLC, melting point analysis, UV-Vis spectrophotometry, and LC-MS/MS. Formulations containing 1.25% and 2.5% chalcone combined with 40% VCO were prepared and tested. Antibacterial activity was evaluated using the agar diffusion method, while physical properties were assessed through organoleptic observation, homogeneity, foaming ability, pH measurement, stability testing, and skin irritation tests. The 1.25% chalcone formulation demonstrated strong antibacterial activity, producing inhibition zones of 19.40±0.39 mm against C. acnes and 18.97±0.45 mm against S. epidermidis. All formulations were stable, homogeneous, and non-irritating. These findings indicate a synergistic antibacterial effect between chalcone and VCO, supporting their potential use as natural active ingredients in anti-acne facial soap formulations.
Co-Authors Achmad Daud, Rizqi Akbar Fandi Aey Fadilah, Yasin Aji, Nur Amalia . Andri Prasetiyo Audrey, Cresentia Budiati, Anarisa Dewi, Nidya Luciana Dhani, Muhammad Dian Ratih Laksmitawati Effionora Anwar Evi Susanti Fadillah, Almufti Fajar, In Rahmi Fatria Faridah Faridah HARI PURNOMO Hidayat, Andika Muhammad Humaedi, Aji Indriani, Aqilah Idelia intan permata sari KARTININGSIH, KARTININGSIH Krismayadi Krismayadi kurnia agustini Martati, Titiek Maryanto, Kenny Mawijaya, Agus Muhammad Luthfi Mulatsari, Esti Mutia Sari Wardana Natthawani, Amitta Noerfa, Tri Kumala Nurmayati, Adi Nursanti, Okta Panca Bayu Chandra, Pra Partomuan Simanjuntak Prasetyo, Andri Prasetyo Pristiyantoro, Pristiyantoro Purwanggana, Agus PUTRI WULANDARI Qodriah, Rahmatul R. Sapto Hendri Boedi Soesatyo Rahmadhani, Sekar Harsti RAHMAT, DENI Ramadhan, Islami Al-Kaffah Ramadhani, Karina Natasya Rasdianti, Putri Ratumakin, Monika Buka Kopon Raymond R. Tjandrawinata Rhahmadini, Yahdi Thia Saeful Amin, Saeful Sandayu, Feriza Sari Dewi, Rika Shirly Kumala Simanjuntak, Josua Donrio Siswandono, Siswandono Siung, Chris Nicholas Stephanie, Adiva Syabriena, Tarra Syamsi, Lusi Nursilawati Syamsudin Syamsudin Taqwa, Iqbal Ananda Titi Parwati, Titi Utami, Fajar Dwi Utami, Fit Indri Intan WAHYU WIDOWATI Yesi Desmiaty, Yesi Yogaswara, Amira Thufailla Yuliana, Agnes Zahra, Nurulita Az