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Khoirunnisa Muslimawati
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.
Molecular Docking Analysis Of Phenolic and Flavonoid Compounds from Eichhornia Crassipes for Antidiabetic Activity Through Interaction with PPAR- γ (5Y2O) and A-Glucosidase (3TOP) Khoirunnisa Muslimawati; Taufik Muhammad Fakih; Nabila Hadiah Akbar; Aditya Maulana Perdana Putra; Nazhipah Isnani
Journal of Pharmascience Vol. 12 No. 2 (2025): Jurnal Pharmascience
Publisher : Universitas Lambung Mangkurat

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20527/jps.v12i2.23583

Abstract

Diabetes Mellitus Tipe 2 (DMT2), ditandai dengan resistensi insulin dan hiperglikemia. Penelitian ini mengevaluasi potensi 30 senyawa golongan fenolik dan flavonoid dari Eichhornia crassipes sebagai agen antidiabetes melalui studi in silico, meliputi uji toksisitas (ToxTree 3.1.0, ProTox 3), analisis ADME (SwissADME), dan molecular docking (AutoDock 4.2.6). Struktur ligan uji diperoleh dari PubChem, sedangkan reseptor PPAR-γ (PDB ID: 5Y2O) dan α-Glukosidase (PDB ID: 3TOP) diunduh dari RCSB Protein Data Bank. Sebelum docking, analisis toksisitas dan ADME dilakukan. Hasil docking menunjukkan Tricin (flavonoid) berinteraksi baik dengan kedua reseptor dan memiliki nilai energi Gibbs -7.53 kcal/mol untuk PPAR-γ dan -5.19 kcal/mol untuk α-Glukosidase, mendekati ligan asli Pioglitazone (-10.03 kcal/mol) dan Acarbose (-6.86 kcal/mol). Interaksi ligan-reseptor Tricin melibatkan ikatan hidrogen dan kontak hidrofobik dengan residu kunci (misalnya, ARG288 dan TYR pada PPAR- γ, residu GLN1561 dan GLN1372 pada α-Glukosidase), mencerminkan interaksi ligan asli. Prediksi toksisitas mengklasifikasikan Tricin sebagai senyawa dengan risiko toksisitas rendah (Cramer Rules Kelas I, Kroes TTC). Selanjutnya, evaluasi ADME menunjukkan bahwa Tricin memenuhi Lipinski's Rule of Five, yang mengindikasikan penyerapan dan bioavailabilitas oral yang baik. Secara keseluruhan, senyawa Tricin dari E. crassipes menunjukkan potensi signifikan sebagai kandidat agen antidiabetes melalui penghambatan PPAR-γ dan α-Glukosidase yang selanjutnya memerlukan validasi dnegan pengujian in vitro dan in vivo. Kata Kunci: Eichhornia crassipes, Molecular Docking, Antidiabetic, PPAR-γ, α-Glucosidase Type 2 Diabetes Mellitus (T2DM), is characterized by insulin resistance and persistent hyperglycemia. This study investigated the antidiabetic potential of 30 phenolic and flavonoid compounds derived from Eichhornia crassipes using in silico approaches, including toxicity assessments (ToxTree 3.1.0, ProTox 3), ADME analysis (SwissADME), and molecular docking (AutoDock 4.2.6). Ligand structures were retrieved from PubChem, while PPAR-γ (5Y2O) and α-Glucosidase (3TOP) receptors were obtained from the RCSB Protein Data Bank. Toxicity and ADME analyses were conducted prior to molecular docking, which employed the Genetic Algorithm with 50 conformations. Docking results revealed that Tricin (a flavonoid) exhibited strong interactions with both receptors, with Gibbs free energy values of -7.53 kcal/mol for PPAR-γ and -5.19 kcal/mol for α-Glucosidase. These values are comparable to those of the native ligands Pioglitazone (-10.03 kcal/mol) and Acarbose (-6.86 kcal/mol). Tricin formed hydrogen bonds and hydrophobic contacts with key active site residues including, ARG288 and TYR327 in PPAR-γ, GLN1561 and GLN1372 in α-Glucosidase), mirroring the interactions of the native ligands. Toxicity predictions classified Tricin as low risk (Class I Cramer Rules, Kroes TTC). Furthermore, ADME evaluation showed that Tricin (aglycone) is fully compliant with Lipinski's Rule of Five, suggesting favorable properties for oral absorption and bioavailability. In conclusion, Tricin from E. crassipes demonstrates significant potential as an antidiabetic candidate and warrants further in vitro and in vivo validation.
In Vitro Study of Antibacterial Activity of Patindis Leaf Extract (Urophyllum arboreum) and Microneedle Acne Patch against Propionibacterium acnes and Staphylococcus aureus Hayatun Izma; Deni Setiawan; Putri Helena Junjung Buih; Khoirunnisa Muslimawati; Naila Azizah; Mahfuzatul Ajmi
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.v13i1.24008

Abstract

Acne vulgaris is a cutaneous disorder associated with Propionibacterium acnes and Staphylococcus aureus. This study investigated the antibacterial activity of patindis leaf extract (Urophyllum arboreum) and its microneedle acne patch against both bacteria. The extract was prepared from dried simplicia by maceration using 96% ethanol. Phytochemical screening was conducted using test-tube methods. Antibacterial testing included determination of inhibition zone diameter using the well-diffusion method, as well as the minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC). Clindamycin 1% was used as a positive control, while 20% DMSO and microneedle patches without extract served as negative controls. The U. arboreum leaf extract contained flavonoids, alkaloids, saponins, condensed tannins and terpenoids. At concentrations of 1.25%, 2.5%, and 5%, the extract produced inhibition zones of 12.368, 14.693, 18.403 mm against P. acnes and 14.523, 17.408, 18.840 mm against S. aureus, respectively. The MIC and MBC values against both bacteria were 0.625%. The microneedle acne patch formulations produced inhibition zones of 9.196 mm (F1), 10.140 mm (F2), and 10.713 mm (F3) against P. acnes, but showed no activity against S. aureus. These results indicate that the microneedle acne patch containing U. arboreum leaf extract has potential as an alternative topical antibacterial agent.
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.
Molecular Docking and QSAR Analysis of N-(Ethylcarbamothioyl)benzamide Derivatives as Dual Estrogen-Alpha and Progesterone Receptors Inhibitor for Breast Cancer Anung Kustriyani; Bambang Tri Purwanto; Tri Widiandani; Khoirunnisa Muslimawati
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.v9i1.10948

Abstract

Luminal A subtype breast cancer is the most prevalent disease suffered by women, characterized by the presence of positive hormone receptors in the form of estrogen and progesterone. Thiourea derivatives have been shown to exhibit cytotoxicity against breast cancer cells in silico across multiple receptor targets. The purpose of this study was to determine the binding energy and QSAR equation of N-(Ethylcarbamothioyl)benzamide derivatives in silico. Molecular docking of the compounds was performed using AutoDockTools-1.5.7 with estrogen-α (PDB ID: 3ERT) and progesterone (PDB ID: 2OVM) receptor targets. The results showed that the compound 4-(benzyloxy)-N-(ethylcarbamothioyl)benzamide had the smallest free energy of binding (∆G) and Ki on estrogen-α and progesterone receptor of -7.13 kcal/mol and 5.96 μM and -8.04 kcal/mol and 1.27 μM, respectively. The best QSAR equation for estrogen-α receptor is ∆G = 0.465 (LogP)2 - 2.276 logP + 0.311 ELUMO - 0.091 MR + 5.075 (R = 0.914, α <0.001, F = 16.595 and SE = 0.41331) and progesterone receptor is ∆G = -0.058 (LogP)2 - 0.033 tPSA + 0.011 Etot - 0.08 MR + 1.683 (R = 0.92, α <0.001, F = 18.028 and SE = 0.37388). The QSAR equation is statistically significant if the R-squared value approaches 1, significance (α <0.05), Fcount > Ftable, and the smallest standard deviation (s). The predicted physicochemical properties that influence cytotoxic activity at the estrogen-α receptor are lipophilic (logP), electronic (ELUMO), and steric (MR). In contrast, those at the progesterone receptor are lipophilic (tPSA), electronic (Etot), and steric (MR).
Co-Authors Achmad Ramadhanna’il Rasjava Aditya Maulana Perdana Putra Anna Khumaira Sari Anung Kustriyani Ariranur Haniffadli Aulia Rhamdani Arfan Bambang Tri Purwanto Buih, Putri Helena Junjung Catherina Adeline Kurniawan Deni Setiawan Dyah Ayu Pramoda Wardani Ega Rezkyan Khalid Hayatun Izma Mahfuzatul Ajmi Nabila Hadiah Akbar Nabila Hadiah Akbar Naila Azizah Nazhipah Isnani Normaidah, Normaidah Okta Muthia Sari Putra, Aditya Maulana Perdana Sandi, Dita Ayulia Dwi Taufik Muhammad Fakih Tri Widiandani