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Journal : JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA

Curcuma caesia. Roxb as a Potential Inhibitor of STAT3 and EGFR: a Molecular Docking Approach in Diabetic Nephropathy Farid, Muhammad; Almaduri, Shalahuddin; Riyadi, Sujono
JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Vol. 12 No. 1 (2025): JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA
Publisher : Universitas Airlangga

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20473/jfiki.v12i12025.26-36

Abstract

Background: Diabetes mellitus (DM) is a chronic disorder marked by persistent hyperglycemia, leading to various complications, including diabetic nephropathy (DN). The STAT3-EGFR signaling axis plays a crucial role in the development and progression of diabetic nephropathy, with EGFR activation leading to STAT3 phosphorylation. Curcuma caesia Roxb, rich in curcuminoids, shows promise in managing DN due to its anti-inflammatory and antioxidant properties. This study aims to predict the inhibitory potential of Curcuma caesia compounds on STAT3 and EGFR in DN using molecular docking techniques. Methods: This study utilized molecular docking to evaluate the inhibitory potential of Curcuma caesia compounds on STAT3 and EGFR. Protein structures were obtained from the RCSB database and prepared using Biovia Discovery Studio. Redocking validated the method via RMSD analysis, while docking simulations assessed binding energy (ΔG). ADMET predictions analyzed physicochemical properties and toxicity, ensuring the compounds' suitability as drug candidates. Results: Redocking process validated the method, with RMSD values indicating accuracy. Curcumin (-9.71) and ar-Curcumene (-5.02) showed the lowest binding energy for both proteins, suggesting strong interactions. Visualization revealed significant amino acid interactions, particularly involving hydrogen bonds. Additionally, pharmacokinetic and toxicity analyses indicated that most compounds are suitable drug candidates, exhibiting good absorption, distribution, and safety profiles, thus supporting Curcuma caesia's therapeutic promise in diabetic nephropathy management. Conclusion: Curcuma caesia demonstrates significant potential as a therapeutic agent for diabetic nephropathy, with favorable molecular interactions, strong binding affinity to STAT3 and EGFR, and promising pharmacokinetic and safety profiles.
Co-Authors Afdin, Ardianti Al Madury, Shalahuddin Almaduri, Shalahuddin Anggraeni , Fatimah Dewi Aninda, Ida Antonio, Cristopher Caesar Aqila Destiyana Ardivta. S , Ni Luh Artanto, Kurniawan Ros Ayu Manila, Larasia Gloria Azwina Dira Sofia Barokah, Liberty Budi P., Renaldi Tri Cahyani Cahyani, Margareta Darussalam, Miftafu Deby Zulkarnain Rahadian Syah, Deby Zulkarnain Rahadian Destiyana, Aqila Dewi P. , Chantika Diah Wahyu Dira Sofia, Azwina Dita Nur Mala Sari Dwi Raharjo, Untoro Dwi yati Dwi Yati Dwi Yati Dwijayanti, Irmma Dwiyati Elvika Fit Ari Shanti Endah Kurniawati, Endah Eniyati Eniyati, Eniyati Fajriyati Nur Azizah Falerida Basaria Sinaga Fanny Firdawati Farhan Febriansyah, Muhammad Fauziya Azzahra, Rahma Ferianto Ferianto, Ferianto Fitri Ruqoyah Hafid Ulinnuha Handayani, sri Heri Herawan Indah Purwandari, Yulistya Irmma Dwijayanti Iskandar, Rahayu Ismi , Nur Khristina Dias Utami Kusumaningtyas, Kartikadyota laili rahmatul ilmi Latifah Susilowati Lefince Laratmase Lensy Wijaya sakti Lira Lutfiyati, Afi Luthfiyati, Afi Marm, Marm Marmi Marmi Marmi Marmi, Marmi Miftakhul P., Rendy Muhammad Farhan Febriansyah Muhammad Farid Muhammad Habibi Muhammad Habibi Nelly Syarifah Nur Aini Ngatoiatu Rohmani Ni Luh Ardivta. S Niken Ratna Sari Nisrina Miftah Nur’aini Novitasari, Rahma Kurnia Nur Fatih Udin Nur Mala Sari, Dita Nuraida P. , Syifa Nuraini Nurdiyansyah, Andi Karisma Olifia Pramesti Parastri, Chantika Piping Asgiani Pramesti, Olifia Praptana Praptana Pratiwi, Tiara Aghivana Prayitno , Sidik Prayitno, Sidik Prayuki, Rindi Puji Astuti, Endah Purbobinuko, Zakharias Kurnia Putri K., Tiara Eka Rahmawati Rahmawati, Dechoni Ramadhani, Lailatul Rita Putri Oktaviani Rohman, Fathoni Ru'iya, Sutipyo Rukmi, Dwi Kartika Ru’iya, Sutipyo Sari Dewi, Tika Shalahuddin Al Madury, Shalahuddin Al Sis Wuryanto Siti Kurnita Alifa Sofia Ad-Dini Sri Handayani Sugiyono Sugiyono Sukmawati, Anastasia Suci Sumiyarini, Retno Supatmi Supatmi Suryo Nugroho Markus Sutipyo Sutipyo R dan Amrih Latifah, Sutipyo R dan Suyudi Rustam, Ahmad Syalsabila Ramdayanti Saputri Syaputri , Widya Syarifah Nur Aini, Nelly Tri Sunarsih Udin, Nur Fatih Wahyu Kurniawati Warseno , Agus Widianingrum , Bina Wijaya sakti, Lensy Yati, Dwi Yuli Astuti Yulistya Indah Purwandari Yuniarti Yuniarti