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All Journal Farmasains : Jurnal Farmasi dan Ilmu Kesehatan Biology, Medicine, & Natural Product Chemistry JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Jurnal Kimia Riset Jurnal Zarah Jurnal Abdimas BSI: Jurnal Pengabdian Kepada Masyarakat JOPS (Journal Of Pharmacy and Science) JFIOnline Jurnal Ilmu Kefarmasian Indonesia Jurnal Jamu Indonesia Journal of Applied Engineering and Technological Science (JAETS) JURNAL PENDIDIKAN, SAINS DAN TEKNOLOGI Jurnal Sains dan Edukasi Sains Community Empowerment Jurnal Pengabdian Masyarakat Indonesia East Asian Journal of Multidisciplinary Research (EAJMR) Gemakes: Jurnal Pengabdian Kepada Masyarakat Magistrorum et Scholarium: Jurnal Pengabdian Masyarakat Capacitarea : Jurnal Pengabdian Kepada Masyarakat Abdi Implementasi Pancasila: Jurnal Pengabdian kepada Masyarakat Jurnal Farmasi Indonesia Journal of Natural Product for Degenerative Diseases Indonesian Journal of Jamu
Mulatsari, Esti
Universitas Pancasila
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Molecular structure similarity analysis using Tanimoto coefficient and its correlation analysis with Maltase-glucoamylase inhibitory activity of Nigella sativa’s compounds Andayani, Nurita; Mulatsari, Esti
Journal of Natural Product for Degenerative Diseases Vol. 2 No. 1 (2024): JNPDD September
Publisher : Faculty of Pharmacy Universitas Pancasila

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.58511/jnpdd.v2i1.7385

Abstract

Nigella sativa is one of the medicinal plants that are efficacious for treating diabetes mellitus. Diabetes mellitus is a chronic metabolic disorder characterized by hyperglycemia due to damage of insulin action, insulin production, and/or both. In this study, the molecular structure similarity analysis of the compounds in Nigella sativa to acarbose and the correlation analysis of the similarity with its activity as antidiabetic with the mechanism of maltase glucoamylase (MGAM) inhibition was carried out. Similarity analysis has been done used Tanimoto coefficient. The prediction of MGAM inhibitory activity has been done using molecular docking with molegro virtual docker. The Kaempferol 3-glucosyl-(1-2)-galactosyl-(1-2)-glucoside; (S)-2,3-Epoxysqualene; Quercetin 3-glucosyl-(1-2)-galactosyl-(1-2)-glucoside; Oleic Acid has activity as an inhibitor of MGAM with rerank score -107.8770, -102.1760, -95.7338, -92.4246 respectively and these has Tanimoto score 0.426, 0.319, 0.413, 0.357 respectively. The correlation analysis obtained that there is a significant relationship between the Tanimoto Coefficient and Rerank Score with the opposite relationship because the correlation value is negative. Greater the degree of molecular structure similarity of Nigella sativa’s compounds to acarbose more likely has the similar biological activity as MGAM inhibitory
Penapisan Virtual Senyawa–Senyawa dalam Famili Zingiberaeae sebagai Antiinflamasi Menggunakan Protokol EE_COX2_V.1.0 Mulatsari, Esti; Mumpuni, Esti; Sandayu, Feriza
Jurnal Jamu Indonesia Vol. 2 No. 2 (2017): Jurnal Jamu Indonesia
Publisher : Tropical Biopharmaca Research Center, IPB University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29244/jji.v2i2.33

Abstract

Berbagai penelitian tentang sifat-sifat anti-inflamasi dan anti-kanker dari berbagai senyawa dalam tanaman familia Zingiberaceae telah dilakukan baik secara in vivo maupun in vitro. Enzim yang diinduksi dan diekspresikan pada sel-sel inflamasi dan kanker dianggap sebagai target obat yang ideal untuk menghambat peradangan dan tumorgenesis, salah satunya adalah enzim siklooksigenase-2 (COX-2). Dalam penelitian ini telah dilakukan penapisan virtual senyawa dalam tanaman Kaemferia galanga, Curcuma domestica Val., Zingiber officinale dan Curcuma xanthorrhiza. Tujuan dari penelitian ini adalah untuk mengetahui aktivitas senyawa-senyawa tersebut sebagai penghambat enzim COX-2 secara in-silico. Penelitian ini menggunakan EE_COX2_V.1.0, protokol Structure Based Virtual Screening (SBVS) yang telah divalidasi oleh Mumpuni et al. 2014. Protokol EE_COX2_V.1.0 menggunakan berbagai aplikasi terintegrasi seperti SPORES, PLANTS, BkChem, OpenBabel dan PyMOL. Elusidasi moda ikatan dilakukan terhadap senyawa representatif aktif dan tidak aktif untuk melihat interaksi asam amino dalam binding site senyawa. Berdasarkan skor ChemPLP sebagai hasil dari simulasi docking yang dilakukan pada 27 senyawa, ada 3 senyawa yang berpotensi aktif dalam menghambat COX-2, senyawa tersebut antara lain 2-butil-3- (4-metoksifenil) -2- asam propenoat dengan 6 residu asam amino aktif, 6-shogaol dengan 10 residu asam amino aktif dan desmetoksikurkumin dengan 4 residu asam amino yang aktif.
In Silico Analysis of Antiviral Activity of Analog Curcumin Compounds Mulatsari, Esti; Martati, Titiek; Mumpuni, Esti; Dewi, Nidya Luciana
Jurnal Jamu Indonesia Vol. 5 No. 3 (2020): Jurnal Jamu Indonesia
Publisher : Tropical Biopharmaca Research Center, IPB University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29244/jji.v5i3.173

Abstract

Some studies state that curcumin analog compounds can improve the bioavailability and biological activity of curcumin. One of the methods to predict the bioactivity of curcumin was computational using molecular docking method. This study has done bioactivity tests of curcumin analog compounds as antiviral using the molecular docking method with the software used are PLANTS, YASARA, MarvinSketch, and Pymol for visualization. This study used analog curcumin compounds derived from previous research. This study used five different viral reseptor types. The maraviroc, docosanol, ribavirin, and zanamivir were used as compound control in this research. The validated target protein consists of 5 (five) receptors with PDB codes 1V2I, 4WEG, 2HWI, 2QAD, and 3ALP. Based on this research, compounds that are predicted active as antiviral on each receptors that are: 2,5-bis(3,5-ditertbutyl-4-hydroxy benzyl)cyclopentanone (1V2I), 1,7- diphenyl-1,6-heptadiene-3,5-dione (4WEG), 1,7-bis(3,4-dibenzyloxiphenyl)-1,6-heptadiene-3,5-dione (2HWI), and 2,5-bis(3,5-ditertbutyl-4-hydroxybenzyl)cyclopentanone (3ALP).
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.
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.
Skrining virtual dan elusidasi moda ikatan senyawa Inhibitor Enzim Elastase dan Hyaluronidase pada beberapa tanaman dengan aktivitas Anti-Aging Mumpuni, Esti; Mulatsari, Esti; Noerfa, Tri Kumala
JFIOnline | Print ISSN 1412-1107 | e-ISSN 2355-696X Vol 11 No 2 (2019): Jurnal Farmasi Indonesia
Publisher : Pengurus Pusat Ikatan Apoteker Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (5617.764 KB) | DOI: 10.35617/jfionline.v11i2.40

Abstract

Beberapa penelitian mengenai enzim elastase dan enzim hyaluronidase yang berpotensi sebagai anti-aging telah dipublikasi sebelumnya. Mengacu pada berbagai hasil penelitian tersebut, pada penelitian ini dilakukan skrining virtual 30 senyawa bahan alam yang berasal dari 10 tanaman dan elusidasi moda ikatan terhadap senyawa aktif sebagai inhibitor enzim penyebab penuaan. Penelitian ini bertujuan untuk mengetahui mekanisme kerja senyawa penghambat aging pada tanaman dan memodelkan interaksinya. Berdasarkan hasil score ChemPLP dari simulasi docking pada penelitian ini, diperoleh 4 senyawa yang aktif menghambat enzim elastase yaitu dari 2 senyawa dari tanaman jeruk (Citrus aurantium subsp. Amara), 1 senyawa dari bunga lavender (Lavandula angustifolia L.) dan 1 senyawa dari tanaman lengkuas belang (Alpinia zerumbet). Sedangkan pada enzim hyaluronidase diperoleh 11 senyawa yang aktif menghambat enzim hyaluronidase yaitu 2 senyawa dari tanaman lengkuas belang (Alpinia zerumbet), 3 senyawa dari tanaman pinang (Areca catechu L.), 1 senyawa dari tanaman teh (Camellia sinensis Kuntze), 1 senyawa dari bunga mawar (Rosa centifolia L.), 2 senyawa dari tanaman jeruk (Citrus aurantium subsp. Amara), 1 senyawa dari tanaman lavender (Lavandula angustifolia L.) dan 1 senyawa dari rumput laut (Eucheuma spinosum).
SINTESIS SENYAWA 1,5-BIS(3’-ETOKSI-4’-HIDROKSIFENIL)-1,4-PENTADIEN-3-ON (EHP) DENGAN BAHAN BAKU ETIL VANILIN MUTU TEKNIK Mulatsari, Esti; Mumpuni, Esti; Purwanggana, Agus; Rasdianti, Putri
Jurnal Zarah Vol. 9 No. 1 (2021): April, 2021
Publisher : Fakultas Keguruan dan Ilmu Pendidikan, Universitas Maritim Raja Ali Haji

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31629/zarah.v9i1.2184

Abstract

Selama ini, sintesis senyawa 1.5-bis (3'-etoksi-4'-hidroksifenil)-1,4-pentadien-3-on (EHP) menggunakan etil vanillin kualitas pro analisis sebagai bahan baku. Dalam penelitian ini, dilakukan sintesis EHP dengan etil vanilin kualitas teknis sebagai bahan baku. Tujuan dari penelitian ini adalah memperoleh rendemen yang tinggi dengan karakteristik EHP yang sama dengan hasil sintesis menggunakan etil vanillin pro analisis akan tetapi biaya produksi lebih rendah. EHP merupakan senyawa analog kurkumin dengan mengubah gugus metoksi menjadi etoksi dan diketon menjadi monoketon. Metode sintesis menggunakan reaksi kondensasi aldol dengan variasi waktu kondensasi. Karakterisasi dan identifikasi senyawa hasil sintesis dilakukan menggunakan metode spektrofotometri. Hasil penelitian menunjukkan bahwa rendemen optimum yang diperoleh adalah 73,23% dalam waktu kondensasi 7 hari. Proses karakterisasi dan identifikasi menunjukkan bahwa senyawa yang disintesis berwarna hijau kecoklatan dan memiliki aroma aromatik, titik leleh 105,2-109,8 °C, Faktor retardasi (Rf) 0,68 dengan uji Kromatografi Lapis Tipis, serapan maksimum 310 dan 278,50 nm dengan uji kromatografi UV-Vis, vibrasi pada bilangan gelombang 3354,38 cm-1; 2979,82 dan 2931,60 cm-1; 1576.99 cm-1; 1672,51 cm-1; 838,59 dan 631,78 cm-1 dengan uji spektrofotometri Inframerah dan persentase area kemurnian dengan uji densitometri 76,69% dan persentase rendemen 51,16 %. Hasil ini menunjukkan karakteristik dan rendemen yang sama dibandingkan dengan EHP yang disintesis menggunakan etil vanilin kualitas pro analisis sebagai bahan baku dengan persentase rendemen yang lebih rendah.
In Silico Study of Beluntas Leaves (Pluchea indica) on DPP-4, α-Glucosidase, SGLT-2, and PPAR-γ as Antidiabetic Targets Andri Prasetiyo; Simanjuntak, Triviana; Kendok, Edelburga Suryati; Dalo, Matilde Tiwery; Mumpuni, Esti; Esti Mulatsari
JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Vol. 13 No. 1 (2026): JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA
Publisher : Universitas Airlangga

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20473/jfiki.v13i12026.122-140

Abstract

Background: Diabetes mellitus (DM) is a chronic metabolic disease with a steadily increasing prevalence globally. Long-term use of synthetic antidiabetic drugs is often associated with side effects, making exploration of alternative therapies from natural ingredients important. Pluchea indica L. leaves have been reported as a traditional Indonesian plant empirically used to lower blood sugar levels. Objective: This study aims to explore the potential of active compounds from Pluchea indica L. leaves as candidate multi-target antidiabetic agents through an in silico approach. Methods: An in silico study was conducted using molecular docking with Molegro Virtual Docker (MVD) to evaluate the interaction of four active compounds from beluntas leaves [(+)-Lirioresinol B, β Stigmasterol, (+)-Pinoresinol, and Plucheoside A against diabetes target proteins DPP-4 (PDB: 4FFW), α-glucosidase (PDB: 3L4W), SGLT-2 (PDB: 7VSI), and PPAR-γ (PDB: 5UGM)]. Method validation was performed by re-docking the original ligands (RMSD < 2.0 Å). Lipinski's 5 Rule analysis and ADMET prediction were performed to evaluate the drug-likeness and pharmacokinetic profiles of the compounds. Results: Method validation showed RMSD of 0.31-1.71 Å for all target proteins. Docking results showed that (+)-Pinoresinol had the best affinity as a DPP-4 inhibitor (Rerank score -103.452), (+)-Lirioresinol B as an α-glucosidase inhibitor (-100.173), Plucheoside A as an SGLT-2 inhibitor (-126.555), and β Stigmasterol as a PPAR-γ agonist (-131.023). Lipinski's 5 Rules analysis showed that all compounds most often violated 1 criterion (PSA). ADMET predictions showed an acceptable pharmacokinetic profile with low toxicity. Conclusion: The active compounds from beluntas leaves show potential as multi-target antidiabetic agents with good binding affinity to diabetes target proteins. These findings are still predictive and require further validation through in vitro and in vivo studies to confirm their biological activity, selectivity, safety, and pharmacological relevance as effective antidiabetic candidates in the future.
Unveiling the Synergistic Multi-Target Antidiabetic Mechanism of Indonesian Scientific Jamu Formulation: A Computational Study Andri Prasetiyo; Teguh Sugiarto; Esti Mulatsari; Esti Mumpuni; Vandrico Junky; Fadhiil Muhammad Dzaki Adipura; Claudya Fransiska Pratamauli Nainggolan
Biology, Medicine, & Natural Product Chemistry Vol 15, No 1 (2026)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14421/biomedich.2026.151.357-364

Abstract

This study aimed to evaluate the multi-target antidiabetic potential of bioactive compounds within the Indonesian Scientific Jamu formulation (consisting of Andrographis paniculata, Curcuma xanthorrhiza, Cinnamomum burmannii, and Syzygium polyanthum) via an in silico approach targeting PPAR-gamma, DPP-4, AKR1C3, and SGLT2. Molecular docking simulations were performed to screen 238 bioactive compounds using Molegro Virtual Docker to predict binding affinities, while ADMET properties were analyzed using pkCSM. The simulation revealed that Cinnamoside, Procyanidin B2, Bisandrographolide B, and Gemin D exhibited the lowest energy on their respective targets. Significantly, 2,6-Di-O-galloyl-beta-D-glucose emerged as a superior multi-target compound, consistently outperforming standard drugs (Pioglitazone, Teneligliptin, Glimepiride, and Empagliflozin) against all four receptors. It was concluded that the formulation contained potent compounds acting through a synergistic multi-target mechanism, specifically 2,6-Di-O-galloyl-?-D-glucose, providing a molecular rationale for the formulation’s clinical efficacy.
Co-Authors Achmad Daud, Rizqi Akbar Fandi Afifah F, Salsa Agus Purwanggana Agus Purwanggana Alifah Wardah Zahiroh Andalucia, Rizka Andayani, Nurita Andika Muhammad Hidayat Andri Prasetiyo Anggiyasari Anggiyasari Anisah Kholilah Arfin Ahsanul Ihsan Ath-Thobari, Jarir Audrey, Cresentia Chaerani Nisa, Chaerani Claudya Fransiska Pratamauli Nainggolan Dalo, Matilde Tiwery Dewi, Nidya Luciana Dhani, Muhammad Diah Kartika Pratami Dian Ratih Laksmitawati Elisna Syahruddin Esti Mumpuni Esti Mumpuni Esti Mumpuni Esti Mumpuni Esti Mumpuni Esti Mumpuni, Esti Evi Susanti Fadhiil Muhammad Dzaki Adipura Fadillah, Almufti Fauzia Noprima Okta Feriza Sandayu Fitri Nurhayati Fitriyana, Aidina Gressty F Swandiny Gumilar Adhi Nugroho Hermawati, Lilik Hidayat, Andika Muhammad Ikhsan Ramadhan Indriani, Aqilah Idelia Intan Permata Sari intan permata sari Iqbal Ananda Taqwa James Ibrahim Juniarti, Asti KARTININGSIH, KARTININGSIH Kendok, Edelburga Suryati Kevin Sandy Liliek Nurhidayati Makin, Wilfridus Resiama Martati, Titiek Maryanto, Kenny Mawijaya, Agus Moordiani Moordiani Muhammad Luthfi Nadira Zahra Salsabila Nathalia Perdhani Soemantri Natthawani, Amitta Nidya Luciana Dewi Noerfa, Tri Kumala Noviyantih, Noviyantih Nur Aisah Nurita Andayani Nurmayati, Adi Purwanggana, Agus PUTRI WULANDARI R. Sapto Hendri Boedi Soesatyo Ramadhan, Islami Al-Kaffah Ramadhani, Karina Natasya Rasdianti, Putri Ratumakin, Monika Buka Kopon Reise Manninda Rhahmadini, Yahdi Thia Rizqya Cahya Handayani Roro Dyah Ayu Ryan Pratama S.Farm., M.Farm., Apt, Sondang Khairani Safi La'rosa Linson Queeny Sandayu, Feriza Shirly Kumala Simanjuntak, Josua Donrio Simanjuntak, Triviana Siti Marsha Dyah Kusumaningtyas Siung, Chris Nicholas Stephanie, Adiva Syabriena, Tarra Taqwa, Iqbal Ananda Teguh Sugiarto Trisna Permadi Utami, Fajar Dwi Vandrico Junky Warni Warni, Warni Widiya Chourinisa Wina Libyawati, Wina Wutun, Maria Yuliana Nigun YATI SUMIYATI Yati Sumiyati, Yati Yogaswara, Amira Thufailla Yusi Anggriani Zahra Afifah Zahra, Nurulita Az Zaidan, Sarah