Article Per Year (5 Year)
p-Index From 2021 - 2026
10.454
P-Index
This Author published in this journals
All Journal Jurnal Ilmiah Farmasi JURNAL KIMIA SAINS DAN APLIKASI Pharmaciana: Jurnal Kefarmasian Media Farmasi : Jurnal Ilmu Farmasi (Journal Of Pharmaceutical Science) Biogenesis: Jurnal Ilmiah Biologi Journal of Biomedicine and Translational Research The Journal of Pure and Applied Chemistry Research Jurnal Riset Kimia Global Medical and Health Communication Pharmacon Pharmascience JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Jurnal Farmasi Galenika (Galenika Journal of Pharmacy) Jurnal Biodjati ALCHEMY Jurnal Penelitian Kimia BIOEDUSCIENCE JRST (Jurnal Riset Sains dan Teknologi) Majalah Farmasi dan Farmakologi (Trends in Pharmacy and Pharmaceutical Sciences) Pharmacology and Clinical Pharmacy Research JSFK (Jurnal Sains Farmasi & Klinis) Jurnal Inovasi Hasil Pengabdian Masyarakat (JIPEMAS) Molekul: Jurnal Ilmiah Kimia Jurnal Mandala Pharmacon Indonesia Jurnal Ilmiah Farmasi Farmasyifa Jurnal Ilmiah Farmako Bahari Poltekita: Jurnal Pengabdian Masyarakat Jurnal Riset Farmasi Pharmaceutical Sciences and Research (PSR) Makara Journal of Science Bandung Conference Series: Pharmacy Borneo Journal of Pharmacy al Kimiya : Jurnal Ilmu Kimia dan Terapan Indonesian Journal of Chemical Science Journal of Tropical Pharmacy and Chemistry Jurnal Sains dan Kesehatan Jurnal Info Kesehatan
Taufik Muhammad Fakih
Prodi Farmasi, Fakultas Matematika Dan Ilmu Pengetahuan Alam, Universitas Islam Bandung
Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Dentistry Earth & Planetary Sciences Education Energy Engineering Environmental Science Health Professions Immunology & microbiology Materials Science & Nanotechnology Medicine & Pharmacology Nursing Physics Public Health Other

Published : 98 Documents Claim Missing Document
Claim Missing Document
Check
Articles

Found 98 Documents
Search

 6   7   8   9   10 
Molecular Docking Analysis Of Phenolic and Flavonoid Compounds from Eichhornia Crassipes for Antidiabetic Activity Through Interaction with PPAR- γ (5Y2O) and A-Glucosidase (3TOP) Muslimawati, Khoirunnisa; Fakih, Taufik Muhammad; Akbar, Nabila Hadiah; Putra, Aditya Maulana Perdana; Isnani, Nazhipah
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.
Molecular Docking Senyawa Kuersetin sebagai Kandidat Antikanker Paru terhadap Target EGFR Izdihar Arief, Imtiyaz; Fakih, Taufik Muhammad; Yuniarta, Tegar Achsendo
Jurnal Riset Farmasi Volume 5, No. 2, Desember 2025, Jurnal Riset Farmasi (JRF)
Publisher : UPT Publikasi Ilmiah Unisba

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29313/jrf.v5i2.8275

Abstract

Abstract. Lung cancer remains the leading cause of cancer-related deaths worldwide. One promising therapeutic target in non-small cell lung cancer (NSCLC) is the Epidermal Growth Factor Receptor (EGFR). Quercetin, a flavonoid compound naturally found in various plants, is known for its potential anticancer activity. This study aimed to evaluate the potential of quercetin as an EGFR inhibitor using a molecular docking approach. The EGFR protein structure (PDB ID: 4I23) was obtained from the Protein Data Bank and prepared using BIOVIA Discovery Studio Visualizer. Docking validation was performed through redocking, resulting in an RMSD value of 1.012 Å, indicating a valid docking protocol. The docking results showed a binding affinity of –7.45 kcal/mol and an inhibition constant (Ki) of 3.46 µM. Quercetin formed hydrogen bonds with residues THR790, GLN791, MET793, and GLU762, as well as hydrophobic interactions with LEU718, ALA743, VAL726, LYS745, and LEU844. These findings indicate that quercetin exhibits favorable binding affinity and complex stability with EGFR, supporting its potential as a molecular inhibitor. This study provides a scientific basis for further development of quercetin as a natural anticancer agent. Abstrak. Kanker paru masih menjadi penyebab utama kematian akibat kanker secara global. Salah satu target terapi yang menjanjikan dalam kanker paru non-sel kecil (NSCLC) adalah Epidermal Growth Factor Receptor (EGFR). Kuersetin, senyawa flavonoid yang ditemukan secara alami dalam berbagai tanaman, diketahui memiliki aktivitas antikanker yang potensial. Penelitian ini bertujuan untuk mengevaluasi potensi kuersetin sebagai inhibitor EGFR melalui pendekatan molecular docking. Struktur protein EGFR (PDB ID: 4I23) diperoleh dari Protein Data Bank dan dipreparasi menggunakan BIOVIA Discovery Studio Visualizer. Validasi metode docking dilakukan melalui proses redocking, menghasilkan nilai RMSD sebesar 1,012 Å yang menunjukkan bahwa metode yang digunakan valid. Hasil docking menunjukkan nilai binding affinity sebesar –7,45 kcal/mol dan konstanta inhibisi (Ki) sebesar 3,46 µM. Kuersetin membentuk ikatan hidrogen dengan residu THR790, GLN791, MET793, dan GLU762, serta interaksi hidrofobik dengan LEU718, ALA743, VAL726, LYS745, dan LEU844. Temuan ini menunjukkan bahwa kuersetin memiliki afinitas pengikatan dan stabilitas kompleks yang baik terhadap EGFR, mendukung potensinya sebagai kandidat inhibitor molekuler. Penelitian ini memberikan dasar ilmiah untuk pengembangan lanjutan kuersetin sebagai agen antikanker berbasis bahan alam.
In Silico Activity Identification of Cyclo Peptide Alkaloids from Zizyphus Spina-Christi Species Against Sars-Cov-2 Main Protease Fakih, Taufik Muhammad; Ramadhan, Dwi Syah Fitra; Darusman, Fitrianti
Jurnal Biodjati Vol 6 No 1 (2021): May
Publisher : UIN Sunan Gunung Djati Bandung

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15575/biodjati.v6i1.10603

Abstract

The COVID-19 has spread worldwide and become an international pandemic. The promising target for drug discovery of COVID-19 was SARS-CoV-2 Main Protease (Mpro), that has been successfully crystallized along with its inhibitor. The discovery of peptide-based inhibitors may present better options than small molecules for inhibitor SARS-CoV-2 Mpro. Natural compounds have such a wide potential and still few explored, Zizyphus spina-christi is one of the medicinal plants that have many pharmacological activities and contains a peptide compound from alkaloids class, i.e. cyclopeptide alkaloids, that is interesting to explore as SARS-CoV-2 Mpro inhibitor. The compound structure was drawn and optimized using density functional theory 3-21G method. The protein chosen was the high resolution of SARS-CoV-2 MPro receptor (1.45 Å) with PDB ID: 6WNP, in complex with boceprevir. Molecular docking simulation was performed using Autodock4 with 100 numbers of GA run, the validation methods assessed by RMSD calculation. Furthermore, the prediction of pharmacological activity spectra was carried out using the PASS Prediction server. The results showed RMSD value was 1.98 Å, this docking method was valid. The binding energy of all compounds showed better results than the native ligand (Boceprevir). The in silico PASS prediction results indicated that all compounds showed antiviral activity. Some compounds showed protease inhibitory activity, i.e Ambiphibine-H, Franganine, and Mauritine-A, and the highest Pa (Predicted activity) value showed by Mauritine-A compounds. It can be concluded that the cyclopeptide compounds of Zizyphus spina-christi were indicated to have a potential as COVID-19 therapy targeting SARS-CoV-2 Mpro.
Discovery of Novel GLUT4 Inhibitors from Kawista (Limonia Acidissima L.) Bioactive Compounds Through in Silico Approaches Muchlisin, M. Artabah; Astuti, Engrid Juni; Cahyani, Aura Lintang Ayu; Andita, Felia Rahma Cahya; Abdillah, Nur Islami Vikri; Inayah, Aghnia Fuadatul; Fakih, Taufik Muhammad
JRST (Jurnal Riset Sains dan Teknologi) Volume 10 No. 1, March 2026: JRST
Publisher : Universitas Muhammadiyah Purwokerto

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30595/jrst.v10i1.28366

Abstract

GLUT4 (Glucose Transporter Type 4) is a key regulator of glucose homeostasis in muscle and adipose tissues. Although inhibition of GLUT4 may exacerbate hyperglycemia in diabetes, it represents a potential therapeutic strategy in cancer by limiting glucose uptake in cells reliant on aerobic glycolysis (the Warburg effect). Natural secondary metabolites are promising candidates for modulating GLUT4 activity. This study aimed to identify potential GLUT4 inhibitors from bioactive compounds of Limonia acidissima (kawista) using in silico approaches. Secondary metabolites of kawista were screened for ADMET properties and oral bioavailability. Molecular docking was performed against the cryo-EM structure of GLUT4 (PDB ID: 7WSM), followed by 200 ns molecular dynamics simulations for the top-ranked ligands. Structural stability was evaluated using RMSD, RMSF, radius of gyration (Rg), and solvent-accessible surface area (SASA). Binding free energies were calculated using the MM-PBSA method. Docking analysis showed that the native ligand cytochalasin B exhibited strong binding affinity (−9.13 kcal/mol, Ki 202.26 nM). Among 43 kawista metabolites, stigmasterol (−8.6 kcal/mol, Ki 494.04 nM) and lupeol (−7.91 kcal/mol, Ki 1.58 μM) demonstrated the most favorable binding affinities. Molecular dynamics simulations revealed stable protein–ligand complexes, with RMSD values ranging from 2.0 to 3.5 Å. RMSF analysis indicated stable key binding residues (Gln298, Gln299, Asn304, Gly400, Trp428, and Asn427), except for Trp404, which showed higher fluctuation in the lupeol complex. Rg and SASA values remained relatively constant, indicating compact and stable complexes. MM-PBSA analysis confirmed that stigmasterol exhibited the most favorable binding free energy, closely comparable to cytochalasin B. These findings suggest that stigmasterol and lupeol from Limonia acidissima are promising GLUT4 inhibitors, with stigmasterol demonstrating the most stable interaction and favorable binding profile. This study highlights the potential of kawista-derived metabolites as lead compounds for further development of GLUT4-targeted anticancer agents.
Karakterisasi dan Skrining Fitokimia Produk Madu Monoflora Nisa Qotrunida Afwa; Taufik Muhammad Fakih; Budi Prabowo Soewondo
Bandung Conference Series: Pharmacy Vol. 6 No. 1 (2026): Bandung Conference Series: Pharmacy
Publisher : UNISBA Press

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29313/bcsp.v6i1.23431

Abstract

Abstract. Honey is a natural product produced by bees from floral nectar and other sweet sources and contains various bioactive compounds that potentially exert pharmacological effects, particularly as antioxidants. The main components of honey consist of approximately 17.5% water, glucose, fructose, sucrose, minerals, and proteins; it also contains enzymes, flavonoids, phenolic acids, volatile compounds, sugars, and about 0.5% protein. This study aimed to conduct physicochemical characterization and qualitative phytochemical screening of monofloral honey to determine its physicochemical properties and classes of secondary metabolites. Characterization included organoleptic evaluation, pH determination, specific gravity, water-soluble extract content, and ethanol-soluble extract content. Qualitative phytochemical screening was performed to identify the classes of compounds present in the honey samples. The results showed that longan honey and kapok honey exhibited a golden-yellow color, viscous texture, sweet taste, and characteristic aroma. The pH values of both honey samples were within a highly acidic range, namely 2.89 and 2.92, with a specific gravity of 1.39 g/mL. The water-soluble extract content of both honeys met the required standards. Phytochemical screening indicated the presence of flavonoids in both samples, suggesting their potential as natural bioactive compounds. Abstrak. Madu merupakan produk alami yang dihasilkan oleh lebah dari nekta bunga dan sumber manis ainnya, serta mengandung berbagai senyawa bioaktif yang berpotensi memberikan efek farmakologis, khususnya sebagai antioksidan. Kandungan utama madu terdiri dari air 17,5 %, glukosa, fruktosa, sukrosa, mineral, dan protein; ada juga enzim, flavonoid, asam fenolat, senyawa volatil, gula, dan sekitar 0,5% protein. Penelitian ini bertujuan untuk melakukan karakterisasi dan skrining fitokimia madu monoflora untuk mengetahui sifat fisikokimia serta golongan senyawa metabolit sekunder secara kualitatif. Karakterisasi meliputi uji organoleptik, uji pH, bobot jenis, kadar sari larut air dan kadar sari larut etanol. Skrining fitokimia dilakukan secara kualitatif untuk mengidentifkasi golongan senyawa dalam madu. Hasil penelitian menunjukkan bahwa madu lengkeng dan madu randu memiliki warna kuning keemasan, tekstur kental, manis dan aroma khas. Nilai pH kedua sampel madu berada pada kisaran sangat asam, yaitu 2,89 dan 2,92, dengan bobot jenis sebesar 1,39 g/mL. Kadar sari larut air pada kedua madu memperoleh hasil yang telah memenuhi standar. Hasil dari skrining fitokimia menunjukan bahwa kedua sampel memiliki kandungan flavonoid yang mengindikasikan bahwa kedua sampel berpotensi sebagai senyawa bioaktif alami.
Analisis Profil ADMET Senyawa Tanaman Ceremai (Phyllanthus acidus) secara In-Silico Hamdan Ramdani; Taufik Muhammad Fakih; Aden Dhana Rizkita
Bandung Conference Series: Pharmacy Vol. 6 No. 1 (2026): Bandung Conference Series: Pharmacy
Publisher : UNISBA Press

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29313/bcsp.v6i1.23456

Abstract

Abstract. Ceremai or Phyllanthus acidus is a plant that is widely distributed in various regions of Indonesia. In several studies, compounds found in ceremai have been shown to have pharmacological activity. Before a compound can be used as a medicine, pharmacokinetic and toxicity studies are also required to ensure that the compound is acceptable to the body. Research using an in-silico approach can be conducted to analyze the pharmacokinetic profile and toxicity of compounds found in ceremai. The results of pharmacokinetic predictions for the compounds Hirsutrin; Quercetin 3-O-alpha-L-rhamnoside; Quercetin 3-rutinoside; Myricitrin; Phyllanthusol A; and Phyllanthusol B show poor absorption in the gastrointestinal tract, do not cross the blood-brain barrier, do not inhibit cytochrome P450 enzymes, and do not meet Lipinski's rules. All six compounds also have the potential to cause nephrotoxicity and respiratory toxicity if administered at doses exceeding the predicted LD50. Abstrak. Ceremai atau Phyllanthus acidus merupakan tanaman yang tersebar diberbagai daerah di Indonesia. Dalam beberapa penelitian senyawa yang terdapat di dalam ceremai mempunyai aktivitas farmakologi. Sebelum suatu senyawa dapat dijadikan obat diperlukan juga studi farmakokinetika dan juga toksisitas untuk memastikan senyawa tersebut dapat diterima oleh tubuh. Penelitian menggunakan pendekatan in-silico dapat dilakukan dalam menganalisis profil farmakokinetika dan juga toksisitas dari senyawa yang terdapat di dalam ceremai. Hasil prediksi farmakokinetika dari senyawa Hirsutrin; Quercetin 3-O-alpha-L-rhamnoside; Quercetin 3-rutinoside; Myricitrin; Phyllanthusol A; dan Phyllanthusol B menunjukkan penyerapan dalam saluran cerna yang kurang baik, tidak menembus BBB, dan tidaka ada enzim sitokrom P450 yang dihambat, dan juga keenam senyawa tidak memenuhi aturan lipinski. Keenam senyawa juga berpotensi menyebabkan nefrotoksik dan respiratotoksik jika diberikan melebihi prediksi dosis LD50.
Molecular Docking and In Silico Evaluation of Beluntas (Pluchea indica) Phytochemicals as Potential Angiotensin-Converting Enzyme Inhibitors for Hypertension Treatment Rasjava, Achmad Ramadhanna’il; Akbar, Nabila Hadiah; Arfan, Aulia Rhamdani; Wardani, Dyah Ayu Pramoda; Putra, Aditya Maulana Perdana; Muslimawati, Khoirunnisa; Buih, Putri Helena Junjung; Fakih, Taufik Muhammad
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 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.
Co-Authors Abdillah, Nur Islami Vikri Adryan Fristiohady Akbar, Nabila Hadiah Akmal Syihabuddin Aksar, M Aldhiya Nurshafa Huwaida Alivia Dyanira Andita, Felia Rahma Cahya Anggi Arumsari Annisa Fitriyani Suryana Annisa Meilani Annisa Meilani Annisa Rahmah Furqaani Arfan Arfan Arfan, Aulia Rhamdani Arini Nabila Putri Asikin, Asyhari Aulia Fikri Hidayat Aulia Rhamadani Arfan Az-zahra, Dhea Khairunnisa Bambang Tri Laksono Bertha Rusdi Budi P Soewondo Budi Prabowo Soewondo Budiana, Wempi Buih, Putri Helena Junjung Cahyani, Aura Lintang Ayu Candra Hermawan Choesrina, Ratu Dewi, Mentari Luthfika Dewi, Mentari Luthfika Diar Herawati Dina Mulyanti Dina Mulyanti Dita Anggun Novianta Dwi Syah Fitra Ramadhan Eky Syahroni Engrid Juni Astuti Fajarwati, Kania Faqih Radina Farendina Suarantika Fetri Lestari Fetri Lestari Firda Aulia Jannati Firliani Dwiputri Fitrianti Darusman Galand Febrial Akbar Gina Fuji Nurfarida Gita Cahya Eka Darma Hakim, Supartina Hamdan Ramdani Hilal Faturohman Hilda Aprilia, Hilda Inayah, Aghnia Fuadatul Indraswari, Ni Luh Astri Ingka Mardiana Putri Ismet Muchtar Nur Izdihar Arief, Imtiyaz Jilan Salsabila Auliya Putri Julia Hartati Khoirunnisa Muslimawati Latifa Hana Silfadani Lina Jamilah Liza Dzulhijjah Mardiana, Neng Dian Marillia, Viola Meike Rachmawati Mentari Luthfika Dewi Mentari Luthfika Dewi Meta Maulida Damayanti Muchlisin, M. Artabah Muhamad Akbar Dirgana Muhammad Fillah Nabila Hadiah Akbar Nabila Shofura Mahardhika Nadhifah Mauludia Rinaldie Nandhy Agustian Luca Pratama Nawang Wulan Rachmatillah Prastowo Putri Nazhipah Isnani Nisa Neli Aunillah Nisa Qotrunida Afwa Nurfadillah Hazar Nurisyah, Nurisyah Nuzulfikri, Rizki Prayitno, Robby Putra, Aditya Maulana Perdana Putri, Nawang Wulan Rachmatillah Prastowo R. Rusli Radina, Faqih Rasjava, Achmad Ramadhanna’il Ratu Choesrina Resty Imfyani Sofyan Ridwan Wijaya RISA NURRAHWANI Rizki Nuzulfikri rizkita, aden Rizkita, Aden Dhana Robby Prayitno Robby Prayitno Rohayah Rohayah Rusli Rusli Salsabilla Wijaya Sani Ega Priani Sari, Ajeng Kartika Sellygani Budi Vaelani Siddiq, Tita Barriah Sintia Ayu Dewi Sintya Suherlan Siti Ainun Rohaniah Siti Hardianti Siti Nurlita Permana Sonia alivia putri Sulthan Waliid Anggara Wisesa Syahrizal Nazala Syahroni, Eky Sylvie Kurniasih Tanisa Maghfira Syarza Tegar Achsendo Yuniarta Tegar Achsendo Yuniarta Tegar Achsendo Yuniarta Tegar Asandra Ghifari Teti Sofia Yanti Thias Najminuri Trully Nouval Larasati Vinda Maharani Patricia Viola Marillia Vivi Amalia Dwi Pratiwi Wardani, Dyah Ayu Pramoda Wijaya, Salsabilla Wisnuwardhani, Hilda Aprilia