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Research Articles

Novel α-amylase and α-glucosidase inhibitors from selected Nigerian antidiabetic plants: an in silico approach

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Pages 6340-6349 | Received 14 Nov 2020, Accepted 23 Jan 2021, Published online: 13 Feb 2021

Reference

  • Akinwumi, O. A. (2019). In vitro antioxidant, α-amylase and α-glucosidase activities of methanol extracts from three Momordica species. International Journal of Phytomedicine, 11(1), 8–14. https://doi.org/10.5138/09750185.2303
  • Ali, S., & Ameneh, M. (2018). An overview of the epidemiology of type 1 diabetes mellitus. International Journal of Metabolic Syndromes, 2 (1), 1–4.
  • Bastaki, A. (2005). Diabetes mellitus and its treatment. International Journal of Diabetes and Metabolism, 13(3), 111.
  • Berendsen, H. J. C., van der Spoel, D., & van Drunen, R. (1995). GROMACS: A message-passing parallel molecular dynamics implementation. Computer Physics Communications, 91(1–3), 43–56. https://doi.org/10.1016/0010-4655(95)00042-E
  • Best, R. B., Zhu, X., Shim, J., Lopes, P. E. M., Mittal, J., Feig, M., & MacKerell, A. D. Jr. (2012). Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone φ, ψ and side-chain χ(1) and χ(2) dihedral angles . Journal of Chemical Theory and Computation, 8(9), 3257–3273. https://doi.org/10.1021/ct300400x
  • Cheng, F., Li, W., Zhou, Y., Shen, J., Wu, Z., Liu, G., Lee, P.W., & Tang, Y. (2012). admetSAR: a comprehensive source and free tool for assessment of chemical ADMET properties. Journal of Chemical Information and modeling, 52, 3099−3105. https://doi.org/10.1021/ci300367a
  • Chien-Hung, J., Jirawat, R., Shih-Hung, L., Yi-Chen, C., & Ching-Feng, W. (2015). Screening alpha-glucosidase and alpha-amylase inhibitors from natural compounds by molecular docking in silico. International Union of Biochemistry and Molecular Biology, 41(4), 242–251.
  • Giri, A. P., & Kachole, M. S. (1998). Amylase inhibitors of pigeonpea (Cajanus cajan) seeds. Phytochemistry, 47(2), 197–202. https://doi.org/10.1016/S0031-9422(97)00570-0
  • 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/10.1002/(SICI)1096-987X(199709)18:12 < 1463::AID-JCC4 > 3.0.CO;2-H
  • Kazeem, M. I., Dansu, T. V., & Adeola, S. A. (2013). Inhibitory effect of Azadirachta indica A. Juss leaf extract on the activities of alpha-amylase and alpha-glucosidase . Pakistan Journal of Biological Sciences : PJBS, 16(21), 1358–1362. https://doi.org/10.3923/pjbs.2013.1358.1362
  • Kolawole, O. T., & Akanji, M. A. (2013). Inhibitory effect of leaf extract of Newbouldia laevis on the metabolic activities of α-glucosidase and α-amylase. Bangladesh Journal of Pharmacology, 8(4), 371–377. https://doi.org/10.3329/bjp.v8i4.16422
  • Kumar, R., Sharma, A., & Tiwari, R. K. (2013). Can we predict blood brain barrier permeability of ligands using computational approaches? Interdisciplinary Sciences, Computational Life Sciences, 5(2), 95–101. https://doi.org/10.1007/s12539-013-0158-9
  • Kumari, R., Kumar, R., & Lynn, A. (2014). g_mmpbsa-a GROMACS tool for high-throughput MM-PBSA calculations. Journal of Chemical Information and Modeling, 54(7), 1951–1962. https://doi.org/10.1021/ci500020m
  • Lipinski, C., Lombardo, F., Dominy, B. W., & Feeney, P. J. (2001). Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Advanced Drug Delivery Reviews, 46(1–3), 3–26. https://doi.org/10.1016/S0169-409X(96)00423-1
  • Mishra, M. R., Mishra, A., Pradhan, D. K., Panda, A. K., Behera, R. K., & Jha, S. (2013). Antidiabetic and antioxidant activity of Scoparia dulcis linn. Indian Journal of Pharmaceutical Sciences, 75(5), 610–614.
  • Moien, A. B., Muhammad, J. H., Jeffrey, K. K., Romona, D. G., H. M., & Kumar, A. K. (2020). Epidemiology of type 2 diabetes-global burden of disease and forecasted trends. Journal of Epidemiology and Global Health, 10(1), 107–111. https://doi.org/10.2991/jegh.k.191028.001
  • Nair, S. D., Kavrekar, V., & Mishra, A. (2013). In vitro studies on alpha-amylase and alpha-glucosidase inhibitory activities of selected plant extracts. European Journal of Experimental Biology, 3, 128–132.
  • Nguyen, T. T., Viet, M. H., & Li, M. S. (2014). Effects of water models on binding affinity: Evidence from all-atom simulation of binding of tamiflu to A/H5N1 neuraminidase. TheScientificWorldJournal, 2014, 536084. https://doi.org/10.1155/2014/536084
  • Nita, G. F., & Nicholas, J. W. (2019). Epidemiology of diabetes medicine. Medicine, 47(1), 22–27.
  • Ogurtsova, K., Rocha, F. J., Huang, Y., Linnenkamp, U., Guariguata, L., Cho, N., Cavan, D., Shaw, J., & Makaroff, L. (2017). IDF diabetes atlas: Global estimates for the prevalence of diabetes for 2015 and 2040. Diabetes Research and Clinical Practice, 128, 40–50. https://doi.org/10.1016/j.diabres.2017.03.024
  • Olorunnisola, O. S., Adetutu, A., Owoade, A. O., Okoh, O. O., Oyewo, E. B., & Adegbola, P. (2016). Ethno-pharmacological and in-vitro anti-diabetic study of some medicinal plants commonly used in Ogbomoso, South Western Nigeria. Journal of Applied Biosciences, 105, 10064–10084.
  • Petersen, H. G. (1995). Accuracy and efficiency of the particle mesh Ewald method. Journal of Chemical Physics, 103(9), 3668–3679. https://doi.org/10.1063/1.470043
  • Sharma, P., Joshi, T., Joshi, T., Chandra, S., & Tamta, S. (2020). In silico screening of potential antidiabetic phytochemicals from Phyllanthus emblica against therapeutic targets of type 2 diabetes. Journal of ethnopharmacology, 248, 112268. https://doi.org/10.1016/j.jep.2019.112268
  • Samuel, T. A., Eun-Young, Y., Soo-Young, C., Mihye, S., Jundae, L., Myeong-Cheoul, C., & Seonghoe, J. (2019). Alpha glucosidase inhibitory activities of plants with focus on common vegetables. Plants, 9(2), 1–17. https://doi.org/10.3390/plants9010002
  • Shabana, B., & Katsumi, S. (2016). Current status of computer-aided drug design for type 2 diabetes. Current Computer-Aided Drug Design, 12(2), 167–177. https://doi.org/10.2174/1573409912666160426120709
  • Trott, O., & Olson, A. J. (2010). AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. Journal of Computational Chemistry, 31(2), 455–461. https://doi.org/10.1002/jcc.21334
  • Van De Waterbeemd, H., & Gifford, E. (2003). ADMET in silico modelling: Towards prediction paradise? Nature Reviews Drug Discovery, 2(3), 192–204. https://doi.org/10.1038/nrd1032
  • Vanommeslaeghe, K., Hatcher, E., Acharya, C., Kundu, S., Zhong, S., Shim, J., Darian, E., Guvench, O., Lopes, P., Vorobyov, I., & MacKerell, A. D. Jr., (2010). CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields. Journal of Computational Chemistry, 31(4), 671–690.http://doi.org/10.1002/jcc.21367
  • Veber, D. F., Johnson, S. R., Cheng, H. Y., Smith, B. R., Ward, K. W., & Kopple, K. D. (2002). Molecular properties that influence the oral bioavailability of drug candidates. Journal of Medicinal Chemistry, 45(12), 2615–2623. https://doi.org/10.1021/jm020017n
  • Wang, N. N., Huang, C., Dong, J., Yao, Z. J., Zhu, M. F., Deng, Z. K., Lv, B., Lu, A. P., Chen, A. F., & Cao, D. S. (2017). Predicting human intestinal absorption with modified random forest approach: A comprehensive evaluation of molecular representation, unbalanced data, and applicability domain issues. RSC Advances, 7(31), 19007–19018. https://doi.org/10.1039/C6RA28442F
  • Zhao, C., Yang, C., Wai, S. T. C., Zhang, Y., P Portillo, M., Paoli, P., Wu, Y., San Cheang, W., Liu, B., Carpéné, C., Xiao, J., & Cao, H. (2019). Regulation of glucose metabolism by bioactive phytochemicals for the management of type 2 diabetes mellitus. Critical Reviews in Food Science and Nutrition, 59(6), 830–847. https://doi.org/10.1080/10408398.2018.1501658

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