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All Journal JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Jurnal Pijar MIPA
Shobahah, Jauharotus
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Biochemistry, Genetics & Molecular Biology Chemistry Education Health Professions Mathematics Medicine & Pharmacology Physics Other

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Formulation, Physical Characterization, and Stability Study of Nanoemulgel Containing Jatropha curcas Leaves Extract Aly, M. Ainun Najib; Pratama, Edo; Shobahah, Jauharotus; Munandar, Tristiana Erawati; Sukardiman
JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Vol. 12 No. 3 (2025): JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA
Publisher : Universitas Airlangga

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20473/jfiki.v12i32025.407-413

Abstract

Background: Jatropha curcas extract has been identified as a promising herbal remedy for various skin disorders. However, its application is limited by its low water solubility and poor skin permeability. Nanotechnology-based strategies provide a way to overcome these limitations. Objective: This study aimed to develop a new drug delivery system for J. curcas extract as a topical treatment for skin conditions. Methods: J. curcas extract was obtained through maceration. The system included a Carbopol 940-based gel and a J. curcas extract (JCE 10% w/w) nanoemulsion (NE) created using a high-energy method with an ultrasonic homogenizer. The appearance, pH, viscosity, spreadability, particle size, polydispersity index, and zeta potential of the nanoemulgel were assessed to verify its physical properties. Results: The optimal formulation produced a dark green nanoemulgel with a distinctive leafy smell and a semi-solid texture. Physical characterization of the JCE-NE-gel included a pH of 6.3, particle size of 142.67 nm, polydispersity index of 0.248, zeta potential of -23.23 mV, viscosity of 87.881 cP, and spreadability of 6.13 cm. Stability testing showed no significant differences after accelerated stability testing and thermal cycling. Conclusion: The study demonstrated that J. curcas extract (JCE-NE-gel) was successfully incorporated into a nanoemulgel formulation (F4), showing excellent physical properties and stability.
Computational Evaluation of Vitamin D3 Binding to KRAS and TGF-β1 in Colorectal Cancer–Associated Signalling Pathways Shobahah, Jauharotus; Astuti , Wahyuningsih Sri Puji; Herdiansyah, Mochammad Aqilah; Aly, M. Ainun Najib
Jurnal Pijar MIPA Vol. 21 No. 2 (2026)
Publisher : Department of Mathematics and Science Education, Faculty of Teacher Training and Education, University of Mataram. Jurnal Pijar MIPA colaborates with Perkumpulan Pendidik IPA Indonesia Wilayah Nusa Tenggara Barat

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/jpm.v21i2.11643

Abstract

Vitamin D3 has been widely investigated for its anticancer properties, yet the structural basis of its interaction with key oncogenic signaling proteins remains incompletely understood. This study aimed to evaluate the molecular interactions between vitamin D3 and KRAS and TGF-β1 using molecular docking and molecular dynamics simulations. Molecular docking analysis was performed using AutoDock Vina, followed by molecular dynamics simulation using CABS-flex to evaluate structural stability using root mean square deviation (RMSD), root mean square fluctuation (RMSF), and radius of gyration (Rg). Comparative benchmarking was performed against the reference inhibitors Sotorasib (KRAS) and Galunisertib (TGF-β pathway). Docking analysis revealed that vitamin D3 binds to KRAS (PDB ID: 4OBE) with a binding affinity of –7.8 kcal/mol, compared to –8.6 kcal/mol for Sotorasib. The interaction was localized within the nucleotide-binding pocket adjacent to the Switch I and Switch II regions, which are critical for conformational regulation. For TGF-β1 (PDB ID: 3KFD), vitamin D3 demonstrated a binding affinity of –8.2 kcal/mol, slightly exceeding that of Galunisertib (–8.1 kcal/mol), with interaction occurring at the receptor-binding interface. Molecular dynamics simulation showed stable complex formation, with RMSD values of 2.79 Å for the KRAS complex and 1.535 Å for the TGF-β1 complex, indicating acceptable structural stability. Residue fluctuation analysis further supported moderate flexibility without global destabilization. These findings suggest that vitamin D3 may function as a multi-target signaling modulator interacting with both intracellular and extracellular regulators of colorectal cancer pathways, providing a structural basis for further experimental investigation.
Co-Authors Aly, M. Ainun Najib Astuti , Wahyuningsih Sri Puji Herdiansyah, Mochammad Aqilah Munandar, Tristiana Erawati Pratama, Edo Sukardiman