References
- Abd El-Karima, S. S., Anwara, M. M., Syama, Y. M., Naelb, M. A., Alia, H. F., & Motalebc, M. A. (2018). Rational drug design and synthesis of new tetralin-sulfonamide derivatives as potent anti-diabetics and DPP-4 inhibitors: 2D & 3D QSAR, in vivo radiolabeling and biodistribution studies. Bioorganic Chemistry, 81, 481–493. doi:10.1016/j.bioorg.2018.09.021
- Ahren, B. (2006). Vildagliptin: An inhibitor of dipeptidyl peptidase-4 with anti-diabetic properties. Expert Opinion on Investigational Drugs, 15, 431–442.
- Ali, S., & Fonseca, V. (2013). Saxagliptin overview: Special focus on safety and adverse effects. Expert Opinion on Drug Safety, 12(1), 103–109.
- Augeri, D. J., Robl, J. A., Betebenner, D. A., Magnin, D. R., Khanna, A., Robertson, J. G., … Hamann, L. G. (2005). Discovery and preclinical profile of Saxagliptin (BMS-477118): A highly potent, long-acting, orally active dipeptidyl peptidase IV inhibitor for the treatment of Type 2 diabetes. Journal of Medicinal Chemistry, 48(15), 5025–5037.
- Bowers, K. J., Chow, E., Huafeng, X., Dror, R. O., Eastwood, M. P., Gregersen, B. A., … Shaw, D. E. (2006). Scalable Algorithms for Molecular Dynamics Simulations on Commodity Clusters. Proceedings of the ACM/IEEE Conference on Supercomputing (SC06), Tampa, Florida, 2006, November 11–17.
- Brough, P. A., Aherne, W., Barril, X., Borgognoni, J., Boxall, K., Cansfield, J. E., … Wright, L. (2008). 5-Diarylisoxazole Hsp90 chaperone inhibitors: Potential therapeutic agents for the treatment of cancer. Journal of Medicinal Chemistry, 4512, 196–218.
- Cayman. (2007). DPP-IV inhibitor assay screening kit (manual no. 700210). Cayman, USA.
- Cereto-Massagué, A., Guasch, L., Valls, C., Mulero, M., Pujadas, G., & Garcia-Vallvé, S. (2012). DecoyFinder: An easy-to-use python GUI application for building target specific decoy sets. Bioinformatics, 28 (12), 1661–1662.
- Chao, W. R., Yean, D., Amin, K., Green, C., & Jong, L. (2007). Computer-aided rational drug design: A novel agent (SR13668) designed to mimic the unique anticancer mechanisms of dietary indole-3-carbinol to block Akt signaling. Journal of Medicinal Chemistry, 50(15), 3412–3415.
- Charifson, P. S., Corkery, J. J., Murcko, M. A., & Walters, W. P. (1999). Consensus scoring: A method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins. Journal of Medicinal Chemistry, 42(25), 5100–5109.
- Choy, M., & Lam, S. (2007). Sitagliptin: A novel drug for the treatment of Type 2 diabetes. Cardiology in Review, 15(5), 264–271.
- Deacon, C. F. (2008). Alogliptin, a potent and selective dipeptidyl peptidase-IV inhibitor for the treatment of Type 2 diabetes. Current Opinion on Investigational Drugs, 9, 402–413.
- Dessalew, N., & Bharatam, P. V. (2006). Investigation of potential glycogen synthase kinase 3 inhibitors using pharmacophore mapping and virtual screening. Chemical Biology Drug Design, 68(3), 154–165.
- Drwal, M. N., & Griffith, R. (2013). Combination of ligand and structure based method in virtual screening. Drug Discovery Today: Technologies, 10(3), e395–e401. doi:10.1016/j.ddtec.2013.02.002
- Eckhardt, M., Langkopf, E., Mark, M., Tadayyon, M., Thomas, L., Nar, H., … Himmelsbach, F. (2007). 8-(3-(R)-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydropurine-2,6-dione (BI 1356), a highly potent, selective, long-acting, and orally bioavailable DPP-4 inhibitor for the treatment of Type 2 diabetes. Journal of Medicinal Chemistry, 50(26), 6450–6453. doi:10.1021/jm701280z
- Erikeson, A. E., Jones, T. A., & Liljas, A. (1988). Refined structure of human carbonic anhydrase II at 2.0 Å resolution. Proteins: Structure, Function, and Genetics, 4, 274–282.
- Feng, J., Zhang, Z., Wallace, M. B., Stafford, J. A., Kaldor, S. W., Kassel, D. B., … Gwaltney, S. L. (2007). Discovery of alogliptin: A potent, selective, bioavailable, and efficacious inhibitor of dipeptidyl peptidase IV. Journal of Medicinal Chemistry, 50(10), 2297–2300. doi:10.1021/jm070104l
- Garg, R., Chen, W., & Pendergrass, M. (2010). Acute pancreatitis in Type 2 diabetes treated with exenatide or sitagliptin: A retrospective observational pharmacy claims analysis. Diabetes Care, 33(11), 2349–2354. doi:10.2337/dc10-0482
- Garry, E. M., Buse, J. B., Lund, J. L., Pate, V., & Stürmer, T. (2018). Comparative safety of pioglitazone versus clinically meaningful treatment alternatives on the risk of bladder cancer in older US adults with Type 2 diabetes. Diabetes, Obesity and Metabolism, 20(1), 129–140. doi:10.1111/dom.13049
- Ghatak, S. B., Patel, D. S., Shanker, N., Srivastava, A., Deshpande, S. S., & Panchal, S. J. (2011). Linagliptin: A novel xanthine-based dipeptidyl peptidase-4 inhibitor for treatment of type II diabetes mellitus. Current Diabetes Reviews, 7, 325–335.
- Guardiola, S., Prades, R., Mendieta, L., Brouwer, A. J., Streefkerk, J., Nevola, L., … Giralt, E. (2018). Targeted covalent inhibition of ProlylOligopeptidase (POP): Discovery of sulfonylfluoride peptidomimetics. Cell Chemical Biology, 25(8), 1031–1037.
- Haffner, C. D., Diaz, C. J., Miller, A. B., Reid, R. A., Madauss, K. P., Hassell, A., … Carter, L. H. (2008). Pyrrolidinylpyridone and pyrazinone analogues as potent inhibitors of prolyloligopeptidase (POP). Bioorganic & Medicinal Chemistry Letters, 18(15), 4360–4363. doi:10.1016/j.bmcl.2008.06.067
- Hein, M., Zilian, D., & Sotriffer, C. A. (2010). Docking compared to 3D-pharmacophores: The scoring function challenge. Drug Discovery Today: Technologies, 7(4), e229–e236.
- Hildebrandt, M., Reutter, W., Arck, P., Rose, M., & Klapp, B. F. (2000). A guardian angel: The involvement of dipeptidyl peptidase IV in psychoneuroendocrine function, nutrition and immune defence. Clinical Science, 99(2), 93–104. doi:10.1042/CS19990368
- International Diabetes Federation. (2017). IDF diabetes atlas (8th ed.). Belgium: International Diabetes Federation.
- Ioakimidis, L., Thoukydidis, L., Mirza, A., Naeem, S., & Reynisson, J. (2008). Benchmarking the reliability of QikProp. Correlation between experimental and predicted values. QSAR & Combinatorial Science, 27, 445–456. doi:10.1002/qsar.200730051
- Kabel, A. M., Omar, M. S., Alhadhrami, A., Alharthi, S. S., & Alrobaian, M. M. (2018). Linagliptin potentiates the effect of l-dopa on the behavioural, biochemical and immunohistochemical changes in experimentally-induced Parkinsonism: Role of toll-like receptor 4, TGF-β1, NF-κB and glucagon-like peptide 1. Physiology & Behavior, 188, 108–118.
- Kim, D., Wang, L., Beconi, M., Eiermann, G. J., Fisher, M. H., He, H., … Weber, A. E. (2005). (2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine: A potent, orally active dipeptidyl peptidase IV inhibitor for the treatment of Type 2 diabetes. Journal of Medicinal Chemistry, 48(1), 141–151. doi:10.1021/jm0493156
- Kim, S. H., Lee, S. H., & Yim, H. J. (2013). Gemigliptin, a novel dipeptidyl peptidase 4 inhibitor: First new anti-diabetic drug in the history of Korean pharmaceutical industry. Archives of Pharmacal Research, 36(10), 1185–1188.
- Kimata, H., Fukuda-Tusura, S., Yoshida, K., Iwasaki, S., Kiuchi, S., Akahoshi, F., & Ishii, S. (2012). Teneligliptin, a novel selective Dipeptidyl peptidase IV inhibitor, improves prostprandial hyperglycaemia in a model of Type 2 diabetes, Zucker diabetic fatty rats. Medical Consultation and New Remedies, 49, 9.
- Kleywegt, G. J., Harris, M. R., Zou, J., Taylor, T. C., Wählby, A., & Jones, T. A. (2004). The uppsala electron-density server. Acta Crystallographica Section D Biological Crystallography, D60, 2240–2249. doi:10.1107/S0907444904013253
- Lim, S., Han, Ah, K., Yu, J., Chamnan, P., Kim, E. S., … INICOM Study Group. (2017). Efficacy and safety of initial combination therapy with gemigliptin and metformin compared with monotherapy with either drug in patients with Type 2 diabetes: A double-blind randomized controlled trial (INICOM study). Diabetes, Obesity and Metabolism, 19(1), 87–97. doi:10.1111/dom.12787
- Madhavi Sastry, G., Adzhigirey, M., Day, T., Annabhimoju, R., & Sherman, W. (2013). Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments. Journal of Computer-Aided Molecular Design, 27(3), 221–234. doi:10.1007/s10822-013-9644-8.
- Martin, G. R. (1996). Inhibition of trigeminovascular system with 5-HTID agonist drugs: Selectivity targeting additional sites of action. European Neurology, 36(2), 13–18. doi:10.1159/000119098
- Mentlein, R. (1999). Dipeptidyl-peptidase IV (CD26)-role in the inactivation of regulatory peptides. Regulatory Peptides, 85(1), 9–24. doi:10.1016/S0167-0115(99)00089-0
- Nabeno, M., Akahoshi, F., Kishida, H., Miyaguchi, I., Tanaka, Y., Ishii, S., & Kadowaki, T. A. (2013). Comparative study of the binding modes of recently launched Dipeptidyl peptidase IV inhibitors in the active pocket. Biochemical and Biophysical Research Communications, 434(2), 191–196.
- Olokoba, A. B., Obateru, O. A., & Olokoba, L. B. (2012). Type 2 diabetes mellitus: A review of current trends. Oman Medical Journal, 27(4), 269–273. doi:10.5001/omj.2012.68
- Pratley, R. E. (2009). Alogliptin: A new, highly selective dipeptidyl peptidase-4 inhibitor for the treatment of Type 2 diabetes. Expert Opinion on Pharmacotherapy, 10(3), 503–512.
- Prato, S. D., Camisasca, R., Wilson, C., & Fleck, P. (2014). Durability of the efficacy and safety of alogliptin compared with glipizide in Type 2 diabetes mellitus: A 2-year study. Diabetes, Obesity and Metabolism, 16, 1239–1246. doi:10.1111/dom.12377
- Saha, R., Tanwar, O. P., Alam, M. M., Zaman, M. S., Khan Shah, A., & Akhter, M. (2015). Pharmacophore based virtual screening, synthesis and SAR of novel inhibitors of Mycobacterium sulfotransferase. Bioorganic & Medicinal Chemistry Letters, 25(3), 701–707.
- Sakkiah, S., Krishnamoorthy, N., Gajendrarao, P., Thangapandian, S., Lee, Y., Kim, S., … Lee, W. K. (2009). Pharmacophore mapping and virtual screening for SIRT1 activators. Bulletin of the Korean Chemical Society, 30, 1–5.
- Sharma, J., Yadav, D., & Paliwal, S. (2013). Discovery of novel DPP IV inhibitors: Application of pharmacophore-based virtual screening. Medicinal Chemistry Research, 22(2), 558–572.
- Sonksen, P., & Sonksen, J. (2000). Insulin: Understanding its action in health and disease. British Journal of Anaesthesia, 85(1), 69–79.
- Tarragó, T., Masdeu, C., Gómez, E., Isambert, N., Lavilla, R., & Giralt, E. (2008). Benzimidazolium salts as small, nonpeptidic and BBB-permeable human prolyloligopeptidase inhibitors. ChemMedChem, 3(10), 1558–1565. doi:10.1002/cmdc.200800152
- Thomas, L., Eckhardt, M., Langkopf, E., Tadayyon, M., Himmelsbach, F., & Mark, M. (2008). (R)-8-(3-amino-piperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione (BI 1356), a novel xanthine-based dipeptidyl peptidase 4 inhibitor, has a superior potency and longer duration of action compared with other dipeptidyl peptidase-4 inhibitors. Journal of Pharmacology and Experimental Therapeutics, 325, 175–182.
- Upadhyay, J., & Gajjar, A. (2018). Analysis of crystal structures of Dipeptidyl peptidase 4 (DPP-4) co-crystallized with diverse inhibitors. International Journal of Pharmaceutical Sciences and Research, 55, 4460–4471.
- Verdonk, M. L., Cole, J. C., Hartshorn, M. J., Murray, C. W., & Taylor, R. D. (2003). Improved protein-ligand docking using GOLD. Proteins: Structure, Function, and Bioinformatics, 52(4), 609–623.
- Verma, J., Khedkar, V. M., & Coutinho, E. C. (2010). 3D-QSAR in drug design-a review. Current Topics in Medicinal Chemistry, 10(1), 95–115.
- Villhauer, E. B., Brinkman, J. A., Naderi, G. B., Burkey, B. F., Dunning, B. E., Prasad, K., … Hughes, T. E. (2003). 1-[[(3-hydroxy-1-adamantyl)amino]acetyl]-2-cyano-(S)-pyrrolidine: a potent, selective, and orally bioavailable dipeptidyl peptidase IV inhibitor with antihyperglycemic properties. Journal of Medicinal Chemistry, 46(13), 2774–2789. doi:10.1021/jm030091l
- von Itzstein, M., Wu, W. Y., Kok, G. B., Pegg, M. S., Dyason, J. C., Jin, B., … Penn, C. R. (1993). Rational design of potent sialidase-based inhibitors of influenza virus replication. Nature, 363(6428), 418–423. doi:10.1038/363418a0
- Wang, S., Milne, G. W., Yan, X., Yan, X., Posey, I. J., Nicklaus, M. C., … Rice, W. G. (1996). Discovery of novel, non-peptide HIV-1 protease inhibitors by pharmacophore searching. Journal of Medicinal Chemistry, 39(10), 2047–2054.
- White, W. B., Cannon, C. P., Heller, M. D., Nissen, S. R., Bergenstal, S. E., Bakris, R. M., … Zannad, F. (2013). Alogliptin after acute coronary syndrome in patients with Type 2 diabetes. New England Journal of Medicine, 369(14), 1327–1335. doi:10.1056/NEJMoa1305889
- Wilson, G. I., & Lill, M. A. (2011). Integrating structure- based and ligand- based approaches for computational drug design. Future Medicinal Chemistry, 3(6), 735–750.
- Wood, J. M., Maibaum, J., Rahuel, J., Grutter, M. G., Cohen, N. C., Rasetti, V., … Bedigianj, M. P. (2003). Structure-based design of Aliskiren, a novel orally effective renin inhibitor. Biochemical and Biophysical Research Communications, 308(4), 698–705.
- Xu, J., Ok, H. O., Gonzalez, E. J., Colwell, L. F., Habulihaz, B., He, H., … Parmee, E. R. (2004). Discovery of potent and selective beta-homophenylalanine based dipeptidyl peptidase IV inhibitors. Bioorganic & Medicinal Chemistry Letters, 14(18), 4759–4762.
- Yang, S. J., Min, K. W., Gupta, S. K., Park, J. Y., Shivane, V. K., Pitale, S. U., … Baik, S. H. (2013). A multicentre, multinational, randomized, placebo-controlled, double-blind, phase 3 trial to evaluate the efficacy and safety of gemigliptin (LC15-0444) in patients with Type 2 diabetes. Diabetes, Obesity and Metabolism, 15(5), 410–416.