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All Journal Borneo Journal of Pharmacy Journal of Pharmascience
Nabila Hadiah Akbar
Universitas Lambung Mangkurat
Medicine & Pharmacology

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Uji Aktivitas Antidiabetes Ekstrak Etanol 96% Daun Bungur (Lagerstroemia speciosa) Secara In Vivo Ega Rezkyan Khalid; Aditya Maulana Perdana Putra; Dita Ayulia Dwi Sandi; Nabila Hadiah Akbar; Khoirunnisa Muslimawati; Okta Muthia Sari
Journal of Pharmascience Vol. 12 No. 1 (2025): Jurnal Pharmascience
Publisher : Universitas Lambung Mangkurat

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20527/jps.v12i1.21737

Abstract

Diabetes Melitus (DM) telah menjadi permasalahan global dan termasuk ke dalam penyakit yang paling umum di dunia. Pengobatan menggunakan herbal merupakan salah satu solusi untuk mengatasi diabetes dan tumbuhan bungur (Lagerstroemia speciosa) merupakan herbal yang dapat mengatasi hal tersebut. Penelitian ini bertujuan untuk mengidentifikasi adanya aktivitas antidiabetes dan menentukan dosis yang memiliki efek antidiabetes terbesar pada ekstrak etanol 96% L. speciosa secara in vivo menggunakan metode Tes Toleransi Glukosa Oral (TTGO). Mencit diambil darahnya pada menit ke-0 dan diberikan larutan uji sesuai kelompoknya, yaitu kontrol negatif (Na-CMC), kontrol positif (metformin), dan kelompok dosis terpilih (75 mg/kgBB, 100 mg/kgBB, dan 125 mg/kgBB). Setelah 30 menit, diberikan larutan dekstrosa dan diambil darah mencit untuk diuji menggunakan pada menit ke-10, 20, 30, 45, 60, 90, dan 120 setelah pemberian dekstrosa. Hasil menunjukkan penurunan glukosa darah pada menit ke-20-30 pada seluruh kelompok perlakuan ekstrak dan kontrol positif, dimana kelompok dosis 125 mg/kgBB ekstrak L. Speciosa (159 ± 35,46) menghasilkan penurunan kadar glukosa yang tidak jauh berbeda dengan penurunan yang terjadi pada kelompok metformin (150,4 ± 46,42). Hasil uji statistik menunjukkan bahwa kadar glukosa darah kelompok perlakuan pada menit ke-30 terdapat perbedaan bermakna dengan kontrol negatif (Sig. <0,05) dan tidak berbeda bermakna dengan kontrol positif (Sig. ≥0,05). Kesimpulan penelitian ini adalah Hasil uji Tes Toleransi Glukosa Oral (TTGO) menunjukkan adanya aktivitas antidiabetes oleh ekstrak etanol 96% daun L. speciosa yang ditandai dengan adanya penurunan kadar glukosa darah pada mencit, efek antidiabetes terbesar pada ekstrak etanol 96% daun L. speciosa dengan dosis 125 mg/kgBB.
In silico Evaluation of Quercetin and Apigenin from Litsea angulata as Potential Dual Binders of DPP-4 and SUR1 Aulia Rhamadani Arfan; Nabila Hadiah Akbar; Taufik Muhammad Fakih; Tegar Asandra Ghifari; Sulthan Waliid Anggara Wisesa
Journal of Pharmascience Vol. 13 No. 1 (2026): Jurnal Pharmascience
Publisher : Universitas Lambung Mangkurat

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20527/jps.v13i1.24835

Abstract

Litsea angulata leaves have traditionally been used for diabetes management; however, the molecular mechanisms underlying their antidiabetic activity remain poorly understood. This study aimed to evaluate the interaction potential of two major flavonoids from L. angulata, quercetin and apigenin, against two protein targets associated with type 2 diabetes mellitus: dipeptidyl peptidase-4 (DPP-4, PDB ID: 1X70) and sulfonylurea receptor 1 (SUR1, PDB ID: 5YKG). Ligand structures were optimized using density functional theory at the B3LYP/6-31G level, followed by molecular docking simulations using AutoDock Vina. Sitagliptin and glibenclamide were used as reference ligands for DPP-4 and SUR1, respectively. The docking results showed that quercetin and apigenin exhibited moderate binding affinities toward DPP-4 (–8.0 and –7.5 kcal/mol), interacting with key residues including Arg125 and Tyr547. In contrast, both flavonoids demonstrated stronger predicted binding energies toward SUR1 (–9.1 and –9.0 kcal/mol) compared with glibenclamide (–8.8 kcal/mol), although the interactions occurred at residues different from the primary functional binding site. The protein–ligand interactions were mainly stabilized by π–π stacking and van der Waals interactions rather than strong hydrogen bonds. Additional in silico analysis indicated that both compounds possess favorable physicochemical and pharmacokinetic properties based on ADME prediction, while toxicity assessment suggested relatively acceptable safety profiles. These findings indicate that quercetin and apigenin may serve as promising flavonoid scaffolds for the development of antidiabetic agents targeting multiple proteins involved in glucose regulation. Further experimental studies are required to validate their pharmacological activity and clarify their mechanisms of action.
Molecular Docking and In Silico Evaluation of Beluntas (Pluchea indica) Phytochemicals as Potential Angiotensin-Converting Enzyme Inhibitors for Hypertension Treatment Achmad Ramadhanna’il Rasjava; Nabila Hadiah Akbar; Aulia Rhamdani Arfan; Dyah Ayu Pramoda Wardani; Aditya Maulana Perdana Putra; Khoirunnisa Muslimawati; Putri Helena Junjung Buih; Taufik Muhammad Fakih
Borneo Journal of Pharmacy Vol. 9 No. 1 (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.v9i1.9706

Abstract

Hypertension remains a major global health concern due to its high prevalence and strong association with cardiovascular diseases and kidney failure. A key component of blood pressure regulation is the Angiotensin-Converting Enzyme (ACE), which catalyzes the conversion of Angiotensin I into the vasoconstrictor Angiotensin II, making it a primary target for antihypertensive drugs. Although synthetic ACE inhibitors such as ramiprilat are effective, their use is often associated with adverse effects, highlighting the need for safer alternatives. This study employs molecular docking and in silico analysis to evaluate the potential of phytochemicals from beluntas (Pluchea indica) as natural ACE inhibitors. A total of 110 phytoconstituents were screened for pharmacokinetic properties using ADMET analysis, leading to the selection of 20 ligands for docking simulations. Among these, 4,5-di-O-caffeoylquinic acid exhibited the highest binding affinity (-9.409 kcal/mol), followed by di-O-caffeoylquinic acid (-8.984 kcal/mol) and quercetin-3-O-β-D-galactopyranoside (-8.372 kcal/mol). These compounds demonstrated stronger binding affinities than the ACE natural substrate, Angiotensin I (-7.133 kcal/mol), and the ACE inhibitor, ramiprilat (-8.717 kcal/mol), suggesting their potential as competitive ACE inhibitors. The binding interactions of these compounds were characterized by hydrogen bonding with key catalytic residues (HIS368, GLU368), electrostatic stabilization, and hydrophobic interactions within the enzyme active site. Notably, caffeoylquinic acid derivatives closely mimicked the binding mode of ramiprilat, whereas quercetin glycosides exhibited a distinct interaction pattern, indicating a possible alternative inhibitory mechanism. These findings provide evidence supporting the potential of P. indica phytochemicals as natural ACE inhibitors and warrant further investigation into their therapeutic applications in hypertension management.
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, radius of gyration (Rg), and radial distribution function (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.
Co-Authors Achmad Ramadhanna’il Rasjava Aditya Maulana Perdana Putra Anna Khumaira Sari Ariranur Haniffadli Aulia Rhamadani Arfan Aulia Rhamdani Arfan Buih, Putri Helena Junjung Catherina Adeline Kurniawan Dyah Ayu Pramoda Wardani Ega Rezkyan Khalid Khoirunnisa Muslimawati Normaidah, Normaidah Okta Muthia Sari Putra, Aditya Maulana Perdana Sandi, Dita Ayulia Dwi Sulthan Waliid Anggara Wisesa Taufik Muhammad Fakih Tegar Asandra Ghifari