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Structure-Based Computational Screening of Indonesian Spice-Derived Compounds Targeting the Neuropeptide Y1 Receptor Woran, Blessari Tesalonika; Jollie, Jessica Angelina; Dharmasetiawan, Michael Nathanael; Kusnadi, Kevin Purwadinata
Indonesian Journal of Life Sciences 2026: IJLS Vol 08 No.01
Publisher : Universitas Bio Scientia Internasional Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.54250/ijls.v8i01.286

Abstract

The neuropeptide Y1 receptor (NPY1R) is a promising therapeutic target for type 2 diabetes mellitus (T2DM) due to its role in regulating appetite and insulin secretion. Indonesian spices contain diverse bioactive compounds with potential metabolic effects, yet their interaction with NPY1R remains largely unexplored. This study aimed to identify potential natural allosteric modulators of NPY1R using structure-based virtual screening and pharmacokinetic analysis. A total of 17,356 compounds from the NCBI PubChem database were pre-filtered, yielding 860 ligands for blind molecular docking. Of these, 97 showed stronger predicted binding affinities than the reference antagonist BMS-193885. Further screening based on physicochemical properties, toxicity, and ADMET parameters identified six top candidates. Among them, cis-theaspirone demonstrated the most favorable profile, including binding to an allosteric pocket (–10.0 kcal/mol; RMSD 2.658 Å), high gastrointestinal absorption, blood–brain barrier permeability, and acceptable solubility. Molecular dynamics simulations over 50 ns confirmed stable ligand–receptor interactions. Overall, cis-theaspirone emerges as a potential NPY1R modulator, highlighting the promise of Indonesian spice-derived compounds for further investigation in metabolic disease research.
The Impact of Organoid to Assembloid Technology in Biomedical Research Meiliana, Anna; Chouw, Angliana; Askandar, Retina Shyallala; Woran, Blessari Tesalonika; Latarissa, Irma Rahayu; Wijaya, Andi
The Indonesian Biomedical Journal Vol 18, No 2 (2026)
Publisher : The Prodia Education and Research Institute (PERI)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.18585/inabj.v18i2.4052

Abstract

Organoids, three-dimensional, self-organized structures derived from pluripotent or adult stem cells, have revolutionized biomedical research by overcoming the inherent limitations of traditional 2D cultures and animal models. This review traces the evolution of organoid technology from initial studies to the contemporary "assembloid" phase, examining systemic inter-organ communication. The primary discovery of this review resides in the shift from descriptive modelling to a functional "Comparative Paradigm." A major perspective addressed is the transition from exclusively descriptive modelling to a functional 'Comparative Paradigm.' By merging developmental biology with bioengineering, a systematic framework is created to discover the most clinically relevant models, employing patient-derived 'avatars' to enhance personalized medicine and and high-throughput drug discovery. Ultimately, this review provides a systematic framework for identifying the most clinically applicable models by integrating developmental biology and bioengineering. The lack of vascularization, embryonic immaturity, and batch-to-batch repeatability issues remain major technical obstacles despite their potential. Finally, we explore potential future approaches in bioengineering, including the incorporation of 3D bioprinting, AI-driven imaging, and microfluidics (organ-on-a-chip). Organoid technology is a key component of next-generation medicine because it bridges the gap between "bench and bedside," providing previously unattainable insights into human biology and illness.KEYWORDS: organoids, stem cells, disease modeling, bioengineering, personalized medicine, assembloids, regenerative medicine; organ-on-a-chip, translational manufacturing