Open Access
| Issue |
BIO Web Conf.
Volume 232, 2026
2026 16th International Conference on Bioscience, Biochemistry and Bioinformatics (ICBBB 2026)
|
|
|---|---|---|
| Article Number | 02003 | |
| Number of page(s) | 10 | |
| Section | Computer-Aided Drug Design and Molecular Simulation | |
| DOI | https://doi.org/10.1051/bioconf/202623202003 | |
| Published online | 24 April 2026 | |
- N.H. Phelps, et al., Worldwide trends in underweight and obesity from 1990 to 2022: a pooled analysis of 3663 population-representative studies with 222 million children, adolescents, and adults. Lancet 403, 1027–1050 (2024). https://doi.org/10.1016/S0140-6736(23)02750-2 [Google Scholar]
- T.M. Powell-Wiley, et al., Obesity and cardiovascular disease: a scientific statement from the American Heart Association. Circulation 143, e984-e1010 (2021). https://doi.org/10.1161/CIR.0000000000000973 [Google Scholar]
- T. Ohira, E. Eguchi, F. Hayashi, M. Kinuta, H. Imano, Epidemiology of cardiovascular disease in Japan: an overview study. J. Cardiol. 83, 191–200 (2024). https://doi.org/10.1016/j.jrjcc.2023.08.006 [Google Scholar]
- S.D. Pedersen, P. Manjoo, S. Dash, A. Jain, N. Pearce, M. Poddar, Pharmacotherapy for obesity management in adults: 2025 clinical practice guideline update. CMAJ 197, E797-E809 (2025). https://doi.org/10.1503/cmaj.250502 [Google Scholar]
- P. Hadváry, W. Sidler, W. Meister, W. Vetter, H. Wolfer, The lipase inhibitor tetrahydrolipstatin binds covalently to the putative active site serine of pancreatic lipase. J. Biol. Chem. 266, 2021-2027 (1991). https://doi.org/10.1016/S0021-9258(18)52203-1 [Google Scholar]
- D. Nirmale, S. S. Jalalpure, Insight into the interaction of human pancreatic lipase with potential anti-obesity drug, Cetilistat, using a molecular docking and molecular dynamics simulation. TMR Pharmacol. 2, 11 (2022). https://doi.org/10.53388/PR202202011 [Google Scholar]
- A.M. Heck, J.A. Yanovski, K.A. Calis, Orlistat, a new lipase inhibitor for the management of obesity. Pharmacotherapy 20, 270-279 (2000). https://doi.org/10.1592/phco.20.4.270.34882 [Google Scholar]
- D.C. Whitcomb, M.E. Lowe, Human pancreatic digestive enzymes. Dig. Dis. Sci. 52, 1-17 (2007). https://doi.org/10.1007/s10620-006-9589-z [Google Scholar]
- Q. Lüthi-Peng, H.P. Märki, P. Hadváry, Identification of the active-site serine in human pancreatic lipase by chemical modification with tetrahydrolipstatin. FEBS Lett. 299, 111-115 (1992). https://doi.org/10.1016/0014-5793(92)80112-t [Google Scholar]
- M.P. Egloff, F. Marguet, G. Buono, R. Verger, C. Cambillau, H. van Tilbeurgh, The 2.46 Â resolution structure of the pancreatic lipase-colipase complex Inhibited by a C11 alkyl phosphonate. Biochemistry 34, 2751–2762 (1995). https://doi.org/10.1021/bi00009a003 [Google Scholar]
- C. Ma, X. Liu, Y. Shan, S. Xu, X. Su, X. Feng, Q.Z. Wang, A new quinolone alkaloid with cytotoxic activity from the fruits of Euodia rutaecarpa. Nat. Prod. Commun. 13, 339-441 (2018). https://doi.org/10.1177/1934578X1801300317 [Google Scholar]
- Y. Matsuo, T. Nozaki, Y. Kamewada, M. Nakagawa, Y. Nakamura, N. Inaba, Y. Mimaki, New quinolone alkaloids from Euodia fruit, and their pancreatic lipase inhibitory and PPAR-y ligand-binding activities. Fitoterapia 180, 106322 (2025). https://doi.org/10.1016/j.fitote.2024.106322 [Google Scholar]
- J. Eberhardt, D. Santos-Martins, A.F. Tillack, S. Forli, AutoDock Vina 1.2.0: new docking methods, expanded force field, and python bindings. J. Chem. Inf. Model. 61, 3891–3898 (2021). https://doi.org/10.1021/acs.jcim.1c00203 [Google Scholar]
- L. Schrödinger, W. Delano, PyMOL (2020). https://www.pymol.org/pymol [Google Scholar]
- Y. Xue, X. Xie, R. Marin, G. Pons-Moll, Gen, 3Diffusion: realistic image-to-3D generation via 2D & 3D diffusion synergy. ACM Comput. Surv. (2023). https://doi.org/10.48550/arXiv.2412.06698 [Google Scholar]
- N.M. O'Boyle, M. Banck, C.A. James, C. Morley, T. Vandermeersch, G.R. Hutchison, Open Babel: an open chemical toolbox. J. Cheminform. 3, 33 (2011). https://doi.org/10.1186/1758-2946-3-33 [Google Scholar]
- P.T.V. Nguyen, H.A. Huynh, D.V. Truong, T.-D. Tran, C.T. Vo, Exploring aurone derivatives as potential human pancreatic lipase inhibitors through molecular docking and molecular dynamics simulations. Molecules 25, 4657 (2020). https://doi.org/10.3390/molecules25204657 [Google Scholar]
- A.C. Wallace, R.A. Laskowski, J.M. Thornton, LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions. Protein Eng. 8, 127–134 (1995). https://doi.org/10.1093/protein/8.2.127 [Google Scholar]
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