Molecular Dynamics Study of Human MTHFR Wild-Type and A222V Mutant-Type: A Computational Approach
(1) Faculty of Pharmacy, Sanata Dharma University, Campus III Paingan, Maguwoharjo, Depok, Sleman, Yogyakarta, 55282, Indonesia
(2) Faculty of Pharmacy, Sanata Dharma University, Campus III Paingan, Maguwoharjo, Depok, Sleman, Yogyakarta, 55282, Indonesia
(3) Faculty of Pharmacy, Sanata Dharma University, Campus III Paingan, Maguwoharjo, Depok, Sleman, Yogyakarta, 55282, Indonesia
(*) Corresponding Author
Abstract
Keywords
Full Text:
PDFReferences
Abhinand, P.A., Shaikh, F., Bhakat, S., Radadiya, A., Bhaskar, L.V.K.S., Shah, A., Ragunath, P.K., 2016. Insights on the Structural Perturbations in Human MTHFR Ala222Val Mutant by Protein Modeling and Molecular Dynamics. Journal of Biomolecular Structure and Dynamics, 34(4): 892–905.
Castro, R., Rivera, I., Ravasco, P., Jakobs, C., Blom, H.J., Camilo, M.E., de Almeida, I.T., 2003. 5,10-Methylenetetrahydrofolate Reductase 677C→T and 1298A→ C Mutations are Genetic Determinants of Elevated Homocysteine. QJM - Monthly Journal of the Association of Physicians, 96(4): 297–303.
Chehadeh, E.H., S.W., Jelinek, H.F., Al Mahmeed, W.A., Tay, G.K., Odama, U.O., Elghazali, G.E.B., Al Safar, H.S., 2016. Relationship Between MTHFR C677T and A1298C Gene Polymorphisms and Complications of Type 2 Diabetes Mellitus in an Emirati Population. Meta Gene, 9: 70–75.
Froese, D.S., Kopec, J., Rembeza, E., Bezerra, G.A., Oberholzer, A.E., Suormala, T., et al., 2018. Structural Basis for the Regulation of Human 5,10-Methylenetetrahydrofolate Reductase by Phosphorylation and S-adenosylmethionine Inhibition. Nature Communications, 9(1): 1–13.
He, L., Shen, Y., 2017. MTHFR C677T Polymorphism and Breast, Ovarian Cancer Risk: a meta-analysis of 19,260 patients. OncoTargets and Therapy, 10: 227–238.
Hishida, A., Okada, R., Guang, Y., Naito, M., Wakai, K., Hosono, S., Nakamura, K., Turin, T.C., Suzuki, S., Niimura, H., Mikami, H., et al., 2013. MTHFR, MTR and MTRR Polymorphisms and Risk of Chronic Kidney Disease in Japanese: Cross-Sectional Data from the J-MICC Study. International Urology and Nephrology, 45(6): 1613–1620.
Istyastono, E.P., Prasasty, V.D., 2021. Computer-Aided Discovery of Pentapeptide AEYTR as a Potent Acetylcholinesterase Inhibitor. Indonesian Journal of Chemistry, 21(1): 243–250.
Istyastono, E.P., Riswanto, F.D.O., 2022. Molecular Dynamics Simulations of the Caffeic Acid Interactions to Dipeptidyl Peptidase IV. International Journal of Applied Pharmaceutics, 14(4): 274–278.
Krieger, E., Vriend, G., 2015. New Ways to Boost Molecular Dynamics Simulations. Journal of Computational Chemistry, 36(13): 996–1007.
Kumar, P., Rai, V., 2018. MTHFR C677T Polymorphism and Risk of Esophageal Cancer: An Updated Meta-Analysis. Egyptian Journal of Medical Human Genetics, 19(4): 273–284.
Li, Z., Zhang, J., Zou, W., Xu, Q., Li, S., Wu, J., Zhu, L., Zhang, Yunjiao, et al., 2021. The Methylenetetrahydrofolate Reductase (MTHFR) C677T Gene Polymorphism is Associated with Breast Cancer Subtype Susceptibility in Southwestern China. PLoS ONE, 16(7 July): 1–12.
Liu, K., Watanabe, E., Kokubo, H., 2017. Exploring the Stability of Ligand Binding Modes to Proteins by Molecular Dynamics Simulations. Journal of Computer-Aided Molecular Design, 31(2): 201–211.
NCBI, 2022. MTHFR methylenetetrahydrofolate reductase [Homo sapiens (human)]. URL https://www.ncbi.nlm.nih.gov/gene/4524 (accessed 11.29.22).
Raghubeer, S., Matsha E., T., 2021. Methylenetetrahydrofolate (MTHFR), the One-Carbon Cycle, and Cardiovascular Risks. Nutrients, 13: 4562.
Ueland, P.M., Hustad, S., Schneede, J., Refsum, H., Vollset, S.E., 2001. Biological and Clinical Implications of the MTHFR C677T Polymorphism. Trends Pharmacol. Sci., 22(4): 195–201.
Wu, S., Han, Y., Hu, Q., Zhang, X., Cui, G., Li, Z., Guan, Y., 2017. Effects of Common Polymorphisms in the MTHFR and ACE Genes on Diabetic Peripheral Neuropathy Progression: a Meta-Analysis. Molecular Neurobiology, 54(4): 2435–2444.
Xuan, C., Li, H., Zhao, J.X., Wang, H.W., Wang, Y., Ning, C.P., Liu, Z., Zhang, B.B., et al., 2014. Association between MTHFR polymorphisms and congenital heart disease: A meta-analysis based on 9,329 cases and 15,076 controls. Scientific Reports, 4: 1–13.
Yigit, S., Karakus, N., Inanir, A., 2013. Association of MTHFR Gene C677T Mutation with Diabetic Peripheral Neuropathy and Diabetic Retinopathy. Molecular Vision, 19(July): 1626–1630.
Zhang, Y.X., Yang, L.P., Gai, C., Cheng, C.C., Guo, Z.Y., Sun, H.M., Hu, D., 2022. Association Between Variants of MTHFR Genes and Psychiatric Disorders: A Meta-Analysis. Frontiers in Psychiatry, 13(August): 1–19.
DOI: https://doi.org/10.24071/jpsc.005727
Refbacks
- There are currently no refbacks.
Copyright (c) 2023 Jurnal Farmasi Sains dan Komunitas (Journal of Pharmaceutical Sciences and Community)
Jurnal Farmasi Sains dan Komunitas (Journal of Pharmaceutical Sciences and Community)
Published by Faculty of Pharmacy, Universitas Sanata Dharma Yogyakarta
This work is licensed under a Creative Commons Attribution 4.0 International License.