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In Silico Evaluation of Kaempferol, Gallic Acid, and Stigmasterol from Lagerstroemia speciosa as Multi-Target Antidiabetic Agents: Molecular Docking and Dynamics Simulation Study Aditya Maulana Perdana Putra; Catherina Adeline Kurniawan; Anna Khumaira Sari; Nabila Hadiah Akbar; Khoirunnisa Muslimawati; Okta Muthia Sari; Dita Ayulia Dwi Sandi; Normaidah Normaidah; Putri Helena Junjung Buih; Ariranur Haniffadli
Borneo Journal of Pharmacy Vol. 9 No. 2 (2026): Borneo Journal of Pharmacy
Publisher : Institute for Research and Community Services Universitas Muhammadiyah Palangkaraya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33084/bjop.v9i2.9720

Abstract

Diabetes mellitus (DM) is a chronic metabolic disorder that leads to severe complications and continues to increase in prevalence worldwide. Although Lagerstroemia speciosa is a well-recognized antidiabetic medicinal plant, most in silico studies have focused exclusively on its major constituent, leaving the antidiabetic potential of its other phytochemicals largely unexplored. This study investigated the multi-target antidiabetic potential of phytochemicals derived from L. speciosa leaves using an in silico approach targeting three key enzymes: aldose reductase, glucokinase, and glycogen synthase kinase 3-beta (GSK3-β). A total of 62 compounds were screened by molecular docking with AutoDock Vina, followed by toxicity predictions using ProTox-II and ToxTree. The top ligand for each target, kaempferol (aldose reductase), gallic acid (glucokinase), and stigmasterol (GSK3-β), was selected for further evaluation through molecular dynamics simulations using GROMACS 2016.3 for 100 ns. Structural and interaction stability were assessed through RMSD, RMSF, SASA, Rg, and RDF analyses. Binding free energies were calculated using the MM/PBSA method via g_mmpbsa. The results indicated that stigmasterol exhibited the most favorable MM/PBSA binding free energy (–133.377 kJ/mol), followed by kaempferol (–65.714 kJ/mol) and gallic acid (–45.629 kJ/mol). However, this favorable energy was dominated by nonspecific van der Waals contributions, consistent with the diffuse interaction patterns and low hydrogen-bond occupancy (4.24%) for stigmasterol. Kaempferol exhibited the highest hydrogen-bond occupancy (64.38%), indicating a stable, consistent interaction with its target enzyme. Rg and RDF analyses confirmed the compactness and specific atomic interactions of the kaempferol and gallic acid complexes.
NARRATIVE REVIEW TANAMAN ENDEMIK DI INDONESIA SEBAGAI TERAPI ANTIMALARIA Alya Hanifa; Sefa Nur Khalifa; Sukito Yohaness Tjitradi; Normaidah Normaidah
Jurnal Farmasi Islam Kalimantan Vol 1 No 2 (2024): Inovasi Terkini Ilmu Pengetahuan Farmasi: Desain Obat Berbasis Komputasi, Tinjaua
Publisher : Universitas Islam Kalimantan Muhammad Arsyad Al Banjari

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31602/jfik.v1i2.17343

Abstract

Artikel ini mengulas berbagai temuan penelitian mengenai tanaman yang secara tradisional banyak digunakan oleh penduduk di Indonesia untuk mencegah dan mengobati penyakit malaria. Penelitian ini merupakan narrative review dengan studi literatur artikel. Pencarian literatur dilakukan dari tahun 2013 hingga November tahun 2023 yang diperoleh dari PubMed dan Google Scholar dengan kata kunci “tanaman” OR “plant” AND “Indonesia” AND “Antimalaria” dengan kriteria tahun publikasi antara 2013-2023 serta menggunakan Bahasa Indonesia dan Bahasa Inggris. Hasil pencarian didapatkan 24 tanaman endemik Indonesia yang dapat digunakan sebagai terapi antimalaria. Tanaman yang ditelaah berasal dari wilayah Jawa (41,67%), Kalimantan (12,5%), Sumatera (16,67%), Sulawesi (8,33%), Nusa Tenggara Timur (8,33%), Nusa Tenggara Barat (4,17%), Maluku (4,17%), serta Papua (4,17%). Inventarisasi tanaman antimalaria ini diharapkan memberikan tambahan pengetahuan tentang manajemen pencegahan dan pengendalian malaria terhadap ruang lingkup yang luas untuk penemuan antimalaria yang lebih efektif dan ampuh yang berasal dari tanaman.
FTIR spectroscopic and multivariate analysis for sample discrimination and adulteration detection of ulin seed (Eusideroxylon zwageri Teijsm. & Binn.) oil Indah Noor Rahmah Indah; Liling Triyasmono Liling; Normaidah Normaidah; Febyanti Safitri; Hayatun Nisa
Pharmaciana Vol. 16 No. 2 (2026): Pharmaciana
Publisher : Universitas Ahmad Dahlan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.12928/pharmaciana.v16i2.31599

Abstract

Ulin seed oil has been empirically used by the people of Kalimantan as a natural hair darkener and hair growth promoter. However, standardized extraction methods and sample characteristics for ulin seed oil (USO) have not yet been clearly established. This study aims to determine the optimal. characteristics of ulin seeds for oil extraction and to identify USO adulteration using FTIR spectrophotometry combined with principal component analysis (PCA). Oil extraction was performed using the Soxhlet method with n-hexane as the solvent, employing variations in seed characteristics. Adulterant oils used to detect the authenticity of USO were candlenut oil (CNO) and virgin coconut oil (VCO). The results showed that the most optimal ulin seeds for oil extraction were fresh, mature, and resinous seeds. Adulteration of USO could be detected at wavenumbers 3008, 1745, and 1118 cm⁻¹. PCA analysis of the FTIR spectral data showed that the wavenumber 1745 cm⁻¹ is a variable that can be used to detect adulteration of USO.
Sunscreen Activity and Total Phenolic Content of Jengkol Leaves (Pithecellobium lobatum Benth.) Ethanolic Extract Normaidah; Mia Fitriana; Fadlilaturrahmah; Winda Tri Kurniasari; Hayatun Izma; Prima Happy Ratnapuri
Pharmacon: Jurnal Farmasi Indonesia Vol. 21 No. 1 (2024)
Publisher : Universitas Muhammadiyah Surakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.23917/pharmacon.v21i1.5662

Abstract

Exposure to UV rays can cause several skin problems, such as redness, sunburn, erythema, and ageing. The dangerous effects of UV radiation require more protection of the skin, such as sunscreen. Jengkol leaves (Pithecellobium lobatum Benth.) are a plant that contains phenolic compounds that can absorb UV radiation, so they can act as sunscreens. This study aimed to determine the activity of sunscreen using in vitro methods in the ethanol extract of P. lobatum leaves based on the sun protection factor (SPF),% transmission of erythema (% Te), % transmission of pigmentation (% Tp) and its total phenolic content by UV-vis spectrophotometry. The best sunscreen activity of the ethanolic extract of P. lobatum leaves was at a concentration of 400 ppm with an SPF value of 28.29 ± 0.034 (ultra), % Te and % Tp were included in the sunblock category. The total phenolic content of the ethanolic extract of the leaves of P. lobatum was 394.45 ± 6.40 mg of gallic acid equivalent per gram extract (mg GAE/g extract). The ethanolic extract of the Pithecellobium lobatum leaves has great potential as a sunscreen product.
Co-Authors Adinda Dwina Hadiastuti Agung Sriyono Agustina, Ni Kadek Ayu Akbar, Nabila Hadiah Akhirullah, Muhammad Maulana Aldiana Astuti Alfisyahr, Nurul Hikmah Alya Hanifa Amalia Khairunnisa Amalia Khairunnisa Amalia Khairunnisa, Amalia Amalia Khirunnisa Amalia Risna Anna Khumaira Sari Anna Khumaira Sari Ariranur Haniffadli Arnida Arnida Asa, Raudatul Jannah Audya Rahmah Ayulia Dwi Sandi, Dita Bayu Bakti Angga Santoso Buih, Putri Helena Junjung Catherina Adeline Kurniawan Chatarina Umbul Wahyuni Dewi Kartika Dewi Kartika Dewi Ramadhani Difa Intannia DINA HARDIYANTI Dina Noor Kamali Edy Meiyanto Elma Stasya Endang Wahyuningsih Erika Nur Aisyah Fadlilaturrahmah Fadlilaturrahmah Fadlilaturrahmah, Fadlilaturrahmah Febyanti Safitri Fhirda Azhari Gema Yulan Dahnis Hayatun Izma Hayatun Izma Hayatun Nisa Henni Selvina Henny Maryani Herningtyas Nautika Lingga Humaira Salwa Syafitri Humairah Humairah Ikhwan Rizki, Muhammad Indah Hairunisa Indah Noor Rahmah Indah Izma, Hayatun Jauhar Latifah Khairunnisa Khoirunnisa Muslimawati Khoirunnisa Muslimawati Khumaira Sari, Anna Laura Sarwo Liling Triyasmono Liling Triyasmono Liling Linda Permata Sari Malahayati, Siti Maslia Rahmah Maulidya Najahidin Melindawati, Vina Mia Fitriana Mia Fitriana Muhammad Ikhwan Rizki Muhammad Irfan Rosyadi Muhammad Itqan Mazdadi Muthi Ikawati Mutia Mawaddah Normilawati Nur Mahdi Nurramadhani A. Sida Nurul huda Okta Muthia Sari Pratiwi, Endah Agustia Prima Happy Ratnapuri Putra, Aditya Maulana Perdana Qory Rahmat Nazri Rahmah, Indah Noor Rahmah, Maslia Rahmat Ramadhani Rahmatullah, Satrio Wibowo Rahmawati, Nanda Hesti Ramadhani, Muhammad Irfan Ratna Asmah Susidarti Ratnapuri, Prima Happy Rezka Fajar Ramadhan Ricky Desrianto Risye Hendry Ronalisa Ronalisa Rosiana Aryani Rusdiana Rusdiana Samsul Hadi Saputra, Adryan Maulana Sefa Nur Khalifa Sholikhah Deti Andasari Silviana, Mega Sindwi Rinanda Sari Siti Nur Oktavia Sofia Sukito Yohaness Tjitradi Sutomo Sutomo Sutomo Sutomo Syifa Auliani Syifa Auliani Sylvan Septian Ressandy Tangkas, Hansel Hens Viogenta, Pratika Wasilah Winda Tri Kurniasari Winsa Wira Wijaya Yopie Kusuma Kurniawan Zulfa Mahmudah