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All Journal JSKK (Jurnal Sains Keolahragaan dan Kesehatan) JURNAL FARMASIMED (JFM) Pharmaceutical And Biomedical Sciences Journal (PBSJ) Jurnal Kolaboratif Sains Jurnal Riset Rumpun Ilmu Kedokteran (JURRIKE) Jurnal Riset Rumpun Ilmu Kesehatan (JURRIKES) Jurnal Sains dan Ilmu Terapan Jurnal Riset Ilmu Kesehatan Umum dan Farmasi Journal of Innovative and Creativity Jurnal Kesehatan Bakti Tunas Husada Obat: Jurnal Riset Ilmu Farmasi dan Kesehatan Journal of Public Health Science (JoPHS) Galen: Jurnal Ilmu Farmasi dan Kesehatan
Saeful Amin
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Journal : JURNAL FARMASIMED (JFM)

 1 
Potential of Flavonoids from Cat's Whiskers Plant (Orthosiphon Stamineus) as Antidiabetic Candidates through Inhibition of Tyrosine Phosphatase 1B and Aldose Reductase Proteins Adi Budi Ramadhan, Adi Budi Ramadhan; Galih Hamdani Riansyah; Saeful Amin
Jurnal FARMASIMED (JFM) Vol 7 No 2 (2025): Jurnal Farmasimed (JFM)
Publisher : Fakultas Farmasi Institut Kesehatan Medistra Lubuk Pakam

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35451/jfm.v7i2.2654

Abstract

Diabetes mellitus is a chronic metabolic disorder characterized by impaired regulation of blood glucose levels. The enzymes Protein Tyrosine Phosphatase 1B (PTP1B) and Aldose Reductase are known to play significant roles in the development of insulin resistance and diabetes-related complications. This study aims to evaluate the potential of flavonoid compounds from Orthosiphon stamineus as dual inhibitors of these enzymes through an in silico approach. The research involved phytochemical screening of flavonoids reported in O. stamineus, followed by molecular docking and validation using PyRx software on the crystal structures of PTP1B (PDB ID: 1AAX) and Aldose Reductase (PDB ID: 1AH3). Docking validation was performed via redocking of native ligands, yielding RMSD values < 2 Å. Ligand-protein interactions were analyzed using Discovery Studio, while pharmacokinetic and toxicity predictions were carried out using SwissADME, pkCSM, and ProTox-II. Docking results revealed that sinensetin and salvigenin exhibited the highest binding affinities to PTP1B and Aldose Reductase, with binding energies of -9.4 and -8.4 kcal/mol, respectively. These compounds formed strong interactions with key residues at the active sites of the enzymes, indicating their potential as effective inhibitors. Pharmacokinetic evaluation showed that most compounds complied with Lipinski’s rule of five and demonstrated favorable ADME profiles, including good absorption and potential blood-brain barrier penetration. Toxicity analysis indicated that the candidate compounds were non-toxic (toxicity class III–IV) and safe for oral administration. Flavonoid compounds from O. stamineus, particularly sinensetin and salvigenin, demonstrated strong potential as dual inhibitors of PTP1B and Aldose Reductase. This study supports further development of O. stamineus flavonoids as natural multitarget therapeutic agents for the management of diabetes mellitus.
Co-Authors Adi Budi Ramadhan, Adi Budi Ramadhan Adisti Rahma Ahmad, Zahratunnisa Ai Nuraisah Ai Sriwahyuni Alfi Nurul Aini Alika Rahma Kalimatillah Alya Nisrina Fauziyyah Amir Mursadad Anantha Puspatiara Andri Prasetiyo Anwar, Reza Jakaria Azriel Pratama, Arryza Azzindani Januar Boogie, Ridho Cheriel Dhiya Nazwa Alivia Dea Wulandari Dheana Ratu Hazlisa Dhearlyn Astania Oxtavia Amir Dinda Nurhayati Famili Dini Aryani Esti Mumpuni Eva Sucianti Fadhiilah Nur Fariidah Fathila Azahra, Fildza Fina Awaliah Fina Fatihatul Makia Fitria Mutiara Rohmah Fitya Fithrotun Najiah Galih Hamdani Riansyah Gani Gusdayan Hanifiani Kamila Hasny Dwi Rahman Hayuning Putri Ambi Hendra Komara Henny N Hidayah, Nauval Aqil Inggit Suci Listya Innayatulloh, Risma Intan Permatasari Jelin Mutiara Guswara Latifa, Ainun Lidiasari, Alda Lidiasari Maitsa Gita Salsabila Meisye Utami Dianingsih Moch. Ikhsan Fauzi Naila Naziba Nandita Marsya Putri Utami Nazmi Tri Harja Nazwa Cahya Kamila Neng Mirna Wati Dewi Neng Padia Amelia Nurkholidatunnisa, Wulan Nurlichan, Suci Rahayu Nurul Sulistia Azzahra Oktaviani, Rissa Aenur Pratama, Bryan Restu Putri Nasywa Nabilah Ma’rifatillah Putri, Amyla Putri Nurul Nazmi restu rianingsih Reza Fathurrahman Sabrina Putri Mutiara Fajrin Salsa Zahra Afiatun Nisa Salsabila Sasikirana Sefira Novi Ariyanto Sekar Harsti Rahmadhani Setiawati, Dede Evita Silma Lutfi Farwah Silvia Dwi Putri Siti Maryam Slamet Ibrahim - Solihah, Adilla Nurafdilla Suci Mega Rahmi Syakila Syalsa Reiza Putri Teguh Nizar Zulmi Tevani Almanda Ramdani Tiara Oktavia Ramadhan Tsani, Ghani Angga Widiya Zulvania