Novel B, C-ring truncated deguelin derivatives reveals as potential inhibitors of cyclin D1 and cyclin E using molecular docking and molecular dynamic simulation

Author:

Lokhande Kiran Bharat,Ghosh Payel,Nagar Shuchi,Venkateswara Swamy K.ORCID

Publisher

Springer Science and Business Media LLC

Subject

Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Drug Discovery,Molecular Biology,General Medicine,Information Systems,Catalysis

Reference47 articles.

1. Tuli HS, Mittal S, Loka M, Aggarwal V, Aggarwal D, Masurkar A, Kaur G, Varol M, Sak K, Kumar M, Sethi G, Bishayee A (2021) Deguelin targets multiple oncogenic signaling pathways to combat human malignancies. Pharmacol Res 166:105487. https://doi.org/10.1016/j.phrs.2021.105487

2. Azevedo-Barbosa H, Ferreira-Silva GÁ, Silva CF, de Souza TB, Dias DF, de Paula A, Ionta M, Carvalho DT (2019) Phenylpropanoid-based sulfonamide promotes cyclin D1 and cyclin E down-regulation and induces cell cycle arrest at G1/S transition in estrogen positive MCF-7 cell line. Toxicol In Vitro: Int J Publ Assoc BIBRA 59:150–160. https://doi.org/10.1016/j.tiv.2019.04.023

3. Liao W, Liu X, Yang Q, Liu H, Liang B, Jiang J, Huang J, Ning C, Zang N, Zhou B, Liao Y, Chen J, Tian L, Ho W, Abdullah AS, Kong L, Liang H, Chen H, Ye L (2020) Deguelin inhibits HCV replication through suppressing cellular autophagy via down regulation of Beclin1 expression in human hepatoma cells. Antiviral Res 174:104704. https://doi.org/10.1016/j.antiviral.2020.104704

4. Weinstat-Saslow D, Merino MJ, Manrow RE, Lawrence JA, Bluth RF, Wittenbel KD, Simpson JF, Page DL, Steeg PS (1995) Overexpression of cyclin D mRNA distinguishes invasive and in situ breast carcinomas from non-malignant lesions. Nat Med 1(12):1257–1260. https://doi.org/10.1038/nm1295-1257

5. Wang F, Mao A, Tang J, Zhang Q, Yan J, Wang Y, Di C, Gan L, Sun C, Zhang H (2019) microRNA-16-5p enhances radiosensitivity through modulating Cyclin D1/E1-pRb-E2F1 pathway in prostate cancer cells. J Cell Physiol 234(8):13182–13190. https://doi.org/10.1002/jcp.27989

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