References
- Barish, G. D., Narkar, V. A., & Evans, R. M. (2006). PPARδ: A dagger in the heart of the metabolic syndrome. Journal of Clinical Investigation, 116(3), 590-597. https://doi.org/https://doi.org/10.1172/JCI27955.
- Boucher, J., Kleinridders, A., & Kahn, C. R. (2014). Insulin receptor signaling in normal and insulin-resistant states. Cold Spring Harbor Perspectives in Biology, 6(1), a009191–a009191. https://doi.org/https://doi.org/10.1101/cshperspect.a009191.
- Bussi, G., Donadio, D., & Parrinello, M. (2007). Canonical sampling through velocity rescaling. The Journal of Chemical Physics, 126(1), 014101. https://doi.org/https://doi.org/10.1063/1.2408420
- Chiarelli, F., & di Marzio, D. (2008). Peroxisome proliferator-activated receptor-gamma agonists and diabetes: current evidence and future perspectives. Vascular Health and Risk Management, 4(2), 297–304. Issue Dove Press. https://doi.org/https://doi.org/10.2147/vhrm.s993
- Choi, J. H., Banks, A. S., Estall, J. L., Kajimura, S., Boström, P., Laznik, D., Ruas, J. L., Chalmers, M. J., Kamenecka, T. M., Blüher, M., Griffin, P. R., & Spiegelman, B. M. (2010). Anti-diabetic drugs inhibit obesity-linked phosphorylation of PPARgamma by Cdk5. Nature, 466(7305), 451–456. https://doi.org/https://doi.org/10.1038/nature09291
- Chung, J. W., Hartzler, M. L., Smith, A., Hatton, J., & Kelley, K. (2018). Pharmacological Agents Utilized in Patients With Type-2 Diabetes: Beyond Lowering A1c. P & T : A Peer-Reviewed Journal for Formulary Management,, 43(4). https://pubmed.ncbi.nlm.nih.gov/29622942/.
- Darwish, K. M., Salama, I., Mostafa, S., Gomaa, M. S., & Helal, M. A. (2016). Design, synthesis, and biological evaluation of novel thiazolidinediones as PPARγ/FFAR1 dual agonists. European Journal of Medicinal Chemistry, 109, 157–172. https://doi.org/https://doi.org/10.1016/j.ejmech.2015.12.049
- Daura, X., Jaun, B., Seebach, D., Van Gunsteren, W. F., & Mark, A. E. (1998). Reversible peptide folding in solution by molecular dynamics simulation. Journal of Molecular Biology, 280(5), 925–932. https://doi.org/https://doi.org/10.1006/jmbi.1998.1885
- Ekins, S., Andreyev, S., Ryabov, A., Kirillov, E., Rakhmatulin, E. A., Sorokina, S., Bugrim, A., & Nikolskaya, T. (2006). A combined approach to drug metabolism and toxicity assessment. Drug Metabolism and Disposition: The Biological Fate of Chemicals, 34(3), 495–503. https://doi.org/https://doi.org/10.1124/dmd.105.008458
- Evans, R. M., Barish, G. D., & Wang, Y. X. (2004). PPARs and the complex journey to obesity. Nature Medicine, 10(4), 355-361. https://doi.org/https://doi.org/10.1038/nm1025.
- Fiévet, C., Fruchart, J. C., & Staels, B. (2006). PPARα and PPARγ dual agonists for the treatment of type 2 diabetes and the metabolic syndrome. Current Opinion in Pharmacology, 6(6),606-14. https://doi.org/https://doi.org/10.1016/j.coph.2006.06.009.
- Hess, B., Bekker, H., Berendsen, H. J. C., & Fraaije, J. G. E. M. (1997). LINCS: A linear constraint solver for molecular simulations. Journal of Computational Chemistry, 18(12), 1463–1472. https://doi.org/https://doi.org/10.1002/(SICI)1096-987X(199709)18:12 < 1463::AID-JCC4 > 3.0.CO;2-H.
- Hess, B., Kutzner, C., Van Der Spoel, D., & Lindahl, E. (2008). GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation. Journal of Chemical Theory and Computation, 4(3), 435–447. https://doi.org/https://doi.org/10.1021/ct700301q
- Kahn, B. B., & McGraw, T. E. (2010). Rosiglitazone, PPARγ, and type 2 diabetes. The New England Journal of Medicine, 363(27), 2667–2669. https://doi.org/https://doi.org/10.1056/NEJMcibr1012075
- Keserü, G. M., & Makara, G. M. (2009). The influence of lead discovery strategies on the properties of drug candidates. Nature Reviews. Drug Discovery, 8(3), 203–212. https://doi.org/https://doi.org/10.1038/nrd2796
- Koes, D. R., Baumgartner, M. P., & Camacho, C. J. (2013). Lessons learned in empirical scoring with smina from the CSAR 2011 benchmarking exercise. Journal of Chemical Information and Modeling, 53(8), 1893–1904. https://doi.org/https://doi.org/10.1021/ci300604z
- Lebovitz, H. E. (2001). Insulin resistance: Definition and consequences. Experimental and Clinical Endocrinology & Diabetes, 109(Suppl 2), S135–S148. https://doi.org/https://doi.org/10.1055/s-2001-18576.
- Levin, D., Bell, S., Sund, R., Hartikainen, S. A., Tuomilehto, J., Pukkala, E., Keskimäki, I., Badrick, E., Renehan, A. G., Buchan, I. E., Bowker, S. L., Minhas-Sandhu, J. K., Zafari, Z., Marra, C., Johnson, J. A., Stricker, B. H., Uitterlinden, A. G., Hofman, A., Ruiter, R., … Colhoun, H. M. (2015). Pioglitazone and bladder cancer risk: A multipopulation pooled, cumulative exposure analysis. Diabetologia, 58(3), 493–504. https://doi.org/https://doi.org/10.1007/s00125-014-3456-9
- Lewis, S. N., Bassaganya-Riera, J., & Bevan, D. R. (2010). Virtual Screening as a Technique for PPAR Modulator Discovery - PubMed. PPAR Research, 2010, 861238 https://doi.org/https://doi.org/10.1155/2010/861238
- Li, Y., Kovach, A., Suino-Powell, K., Martynowski, D., & Xu, H. E. (2008). Structural and biochemical basis for the binding selectivity of peroxisome proliferator-activated receptor gamma to PGC-1alpha. The Journal of Biological Chemistry, 283(27), 19132–19139. https://doi.org/https://doi.org/10.1074/jbc.M802040200
- Lipinski, C. A. (2004). Lead- and drug-like compounds: The rule-of-five revolution. Drug Discovery Today Technology, 1(4),337-41. https://doi.org/https://doi.org/10.1016/j.ddtec.2004.11.007
- Lipinski, C. A., Lombardo, F., Dominy, B. W., & Feeney, P. J. (2001). Experimental and computational approaches to estimate solubility and permeability in drug discovery and development q settings, Advanced Drug Delivery Reviews.
- Liu, L., Ma, Y., Wang, R. L., Xu, W. R., Wang, S. Q., & Chou, K. C. (2013). Find novel dual-agonist drugs for treating type 2 diabetes by means of cheminformatics. Drug Design, Development and Therapy, 7, 279–288. https://doi.org/https://doi.org/10.2147/DDDT.S42113
- Lobanov, M. Y., Bogatyreva, N. S., & Galzitskaya, O. V. (2008). Radius of gyration as an indicator of protein structure compactness. Molecular Biology, 42(4), 623–628. https://doi.org/https://doi.org/10.1134/S0026893308040195
- Miceli, I., Burt, D., Tarabra, E., Camussi, G., Perin, P. C., & Gruden, G. (2010). Stretch reduces nephrin expression via an angiotensin II-AT(1)-dependent mechanism in human podocytes: effect of rosiglitazone. American Journal of Physiology. Renal Physiology, 298(2), F381–F390. https://doi.org/https://doi.org/10.1152/ajprenal.90423.2008
- Mishra, G. P., & Sharma, R. (2016). Identification of potential PPAR γ agonists as hypoglycemic agents: Molecular docking approach. Interdisciplinary Sciences: Computational Life Sciences, 8(3), 220–228. https://doi.org/https://doi.org/10.1007/s12539-015-0126-7
- Mitka, M. (2013). Panel recommends easing restrictions on rosiglitazone despite concerns about cardiovascular safety. JAMA, 310(3), 246–247. https://doi.org/10.1001/jama.2013.8141
- Munigoti, S., & Harinarayan, C. (2014). Role of Glitazars in atherogenic dyslipidemia and diabetes: Two birds with one stone? Indian Journal of Endocrinology and Metabolism, 18(3), 283-287. https://doi.org/https://doi.org/10.4103/2230-8210.131134
- Nesto, R. W., Bell, D., Bonow, R. O., Fonseca, V., Grundy, S. M., Horton, E. S., Le Winter, M., Porte, D., Semenkovich, C. F., Smith, S., Young, L. H., & Kahn, R. (2004). thiazolidinedione use, fluid retention, and congestive heart failure: A consensus statement from the american heart association and american diabetes association. Diabetes Care, 27(1), 256–263. https://doi.org/https://doi.org/10.2337/diacare.27.1.256
- Norinder, U., & Bergström, C. A. (2006). Prediction of ADMET Properties. ChemMedChem, 1(9), 920–937. https://doi.org/https://doi.org/10.1002/cmdc.200600155
- Oostenbrink, C., Villa, A., Mark, A. E., & Van Gunsteren, W. F. (2004). A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6. Journal of Computational Chemistry, 25(13), 1656–1676. https://doi.org/https://doi.org/10.1002/jcc.20090
- Or, T., Lm, T., & Mr, P. (2016). Type 2 diabetes mellitus in children and adolescents: A relatively new clinical problem within pediatric practice. Journal of Medicine and Life, 9(3), 235–239.
- Parrinello, M., & Rahman, A. (1981). Polymorphic transitions in single crystals: A new molecular dynamics method. Journal of Applied Physics., 52(12), 7182–7190. https://doi.org/https://doi.org/10.1063/1.328693.
- Pirhadi, S., Shiri, F., & Ghasemi, J. B. (2013). Methods and Applications of Structure Based Pharmacophores in Drug Discovery. Current Topics in Medicinal Chemistry, 13(9), 1036–1047. https://doi.org/https://doi.org/10.2174/1568026611313090006
- Poulsen, L., La, C., Siersbaek, M., & Mandrup, S. (2012). PPARs: Fatty acid sensors controlling metabolism. Seminars in Cell & Developmental Biology, 23(6), 631-639. https://doi.org/https://doi.org/10.1016/j.semcdb.2012.01.003.
- Rajapaksha, H., Bhatia, H., Wegener, K., Petrovsky, N., & Bruning, J. B. (2017). X-ray crystal structure of rivoglitazone bound to PPARγ and PPAR subtype selectivity of TZDs. Biochimica et Biophysica Acta. General Subjects, 1861(8), 1981–1991. https://doi.org/https://doi.org/10.1016/j.bbagen.2017.05.008
- Sander, T., Freyss, J., Von Korff, M., & Rufener, C. (2015). DataWarrior: An open-source program for chemistry aware data visualization and analysis. Journal of Chemical Information and Modeling, 55(2), 460–473. https://doi.org/https://doi.org/10.1021/ci500588j
- Sarafidis, P. A., Stafylas, P. C., Georgianos, P. I., Saratzis, A. N., & Lasaridis, A. N. (2010). Effect of Thiazolidinediones on Albuminuria and Proteinuria in Diabetes: A Meta-analysis. American Journal of Kidney Diseases: The Official Journal of the National Kidney Foundation, 55(5), 835–847. https://doi.org/https://doi.org/10.1053/j.ajkd.2009.11.013
- Schüttelkopf, A. W., & Van Aalten, D. M. F. (2004). PRODRG: A tool for high-throughput crystallography of protein-ligand complexes. Acta Crystallographica. Section D, Biological Crystallography, 60(Pt 8), 1355–1363. https://doi.org/https://doi.org/10.1107/S0907444904011679
- Sears, D. D., Hsiao, G., Hsiao, A., Yu, J. G., Courtney, C. H., Ofrecio, J. M., Chapman, J., & Subramaniam, S. (2009). Mechanisms of human insulin resistance and thiazolidinedione-mediated insulin sensitization. Proceedings of the National Academy of Sciences of the United States of America, 106(44), 18745–18750. https://doi.org/https://doi.org/10.1073/pnas.0903032106
- Shaikh, S., Muneera, M. S., Thusleem, O. A., Tahir, M., Kondaguli, A. V., & Ruckmani, K. (2007). Development and validation of a selective online dissolution method for rosiglitazone maleate. Journal of Chromatographic Science, 45(6), 311–314. https://doi.org/https://doi.org/10.1093/chromsci/45.6.311 17626717
- Shiri, F., Pirhadi, S., & Rahmani, A. (2018). Identification of new potential HIV-1 reverse transcriptase inhibitors by QSAR modeling and structure-based virtual screening. Journal of Receptor and Signal Transduction Research, 38(1), 37–47. https://doi.org/https://doi.org/10.1080/10799893.2017.1414844
- Sunseri, J., & Koes, D. R. (2016). Pharmit: Interactive Exploration of Chemical Space - PubMed. Nucleic Acids Research, 44, W442–8. https://doi.org/https://doi.org/10.1093/nar/gkw287
- Van Der Spoel, D., Lindahl, E., Hess, B., Groenhof, G., Mark, A. E., & Berendsen, H. J. C. (2005). GROMACS: Fast, flexible, and free. Journal of Computational Chemistry, 26(16), 1701–1718. https://doi.org/https://doi.org/10.1002/jcc.20291.
- World Health Organization: Global report on Diabetes. (2020). World Health Organization: Global report on Diabetes.
- Yang, H. C., Ma, L. J., Ma, J., & Fogo, A. B. (2006). Peroxisome proliferator-activated receptor-gamma agonist is protective in podocyte injury-associated sclerosis. Kidney International, 69(10), 1756–1764. https://doi.org/https://doi.org/10.1038/sj.ki.5000336