Výsledky vyhledávání

Exploration of 5-cyano-6-phenylpyrimidin derivatives containing an 1,2,3-triazole moiety as potent FAD-based LSD1 inhibitors

Autor: Yi-Chao Zheng, Yue-Jiao Liu, Li-Ying Ma, Yinghua You, Haojie Wang, Hong-Min Liu, Yang Feifei, Chao-Ya Ma

Publikováno v: Acta Pharmaceutica Sinica B, Vol 10, Iss 9, Pp 1658-1668 (2020)
Acta Pharmaceutica Sinica. B

Histone lysine specific demethylase 1 (LSD1) has become a potential therapeutic target for the treatment of cancer. Discovery and develop novel and potent LSD1 inhibitors is a challenge, although several of them have already entered into clinical tri

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8c8ed8f9fce726a289b0ae8847cad43d
https://doi.org/10.1016/j.apsb.2020.02.006

Zobrazit plný text záznamu

Investigating the binding mechanism of (4-Cyanophenyl)glycine derivatives as reversible LSD1 by 3D-QSAR, molecular docking and molecular dynamics simulations

Autor: Lina Ding, Hong-Min Liu, Jing Yang, Chao-Ya Ma, Xu-Dong Sun, Zhi-Zheng Wang, Qi-Bing Gao

Publikováno v: Journal of Molecular Structure. 1175:698-707

Lysine specific demethylase 1 (LSD1) have been regard as an important drug target on the therapy of cancer and leukemia. However, the development of effective reversible LSD1 inhibitors was facing many challenges. In this work, we carried out a molec

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::fe6e26f413b79bb31ffc8a65c3aa4c8d
https://doi.org/10.1016/j.molstruc.2018.08.029

Zobrazit plný text záznamu

Investigating the binding mechanism of piperidinyl ureas inhibitors based on the UBC12-DCN1 interaction by 3D-QSAR, molecular docking and molecular dynamics simulations

Autor: Chao-Ya Ma, Hong-Min Liu, Jiangheng Zhao, Lina Ding, Ying Yan, Yujie Chen, Jieying Zang, Jing Yang, Qi-Bing Gao

Publikováno v: Journal of biomolecular structuredynamics. 40(6)

Neddylation regulates a variety of biological processes by modulating Cullin-RING E3 ubiquitin ligases (CRLs) which is considered to be an important target for human diseases. The activation of CRLs required Cullins Neddylation, which regulated by th

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::788fd7c3bc1657af214243700074cd05
https://pubmed.ncbi.nlm.nih.gov/33183176

Zobrazit plný text záznamu

Design and synthesis of tranylcypromine derivatives as novel LSD1/HDACs dual inhibitors for cancer treatment

Autor: Ying-Chao Duan, Yi-Chao Zheng, Chao-Ya Ma, Yong-Cheng Ma, Xiaoyu Zhai, Lina Ding, Qin Wenping, Ying-Li Zhu, Yuan-Yuan Guan, Jing Yang

Publikováno v: European Journal of Medicinal Chemistry. 140:392-402

Lysine specific demethylase 1 (LSD1) and Histone deacetylases (HDACs) are promising drug targets for cancers. Recent studies reveal an important functional interplay between LSD1 and HDACs, and there is evidence for the synergistic effect of combined

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c1b7d52ce6ed80550a01dc674a3c284f
https://doi.org/10.1016/j.ejmech.2017.09.038

Zobrazit plný text záznamu

3D-QSAR (CoMFA, CoMSIA), molecular docking and molecular dynamics simulations study of 6-aryl-5-cyano-pyrimidine derivatives to explore the structure requirements of LSD1 inhibitors

Autor: Hong-Min Liu, Xu-Dong Sun, Zhi-Zheng Wang, Chao-Ya Ma, Lina Ding, Wen Li, Jing Yang

Publikováno v: Bioorganic & Medicinal Chemistry Letters. 27:3521-3528

Recently, Histone Lysine Specific Demethylase 1 (LSD1) was regarded as a promising anticancer target for the novel drug discovery. And several small molecules as LSD1 inhibitors in different structures have been reported. In this work, we carried out

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8d33feeabbe36f946e8292c96bab655b
https://doi.org/10.1016/j.bmcl.2017.05.065

Zobrazit plný text záznamu

Identifying the novel inhibitors of lysine-specific demethylase 1 (LSD1) combining pharmacophore-based and structure-based virtual screening

Autor: Qi-Bing Gao, Wen Zhao, Zhi-Zheng Wang, Lina Ding, Hong-Min Liu, Chao-Ya Ma, Ying Yan, Xu-Dong Sun, Yi-Chao Zheng, Jing Yang, Wen Li

Publikováno v: Journal of biomolecular structuredynamics. 37(16)

Lysine-specific demethylase 1 (LSD1) has been reported to connect with a range of solid tumors. Thus, the exploration of LSD1 inhibitors has emerged as an effective strategy for cancer treatment. In this study, we constructed a pharmacophore model ba

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ff44a1eb0ca8249ae093ff0bab565cbe
https://pubmed.ncbi.nlm.nih.gov/30366512

Zobrazit plný text záznamu

Probing the binding mechanism of substituted pyridine derivatives as effective and selective lysine-specific demethylase 1 inhibitors using 3D-QSAR, molecular docking and molecular dynamics simulations

Autor: Jing Yang, Hong-Min Liu, Xu-Dong Sun, Qi-Bing Gao, Zhi-Zheng Wang, Chao-Ya Ma, Lina Ding

Publikováno v: Journal of biomolecular structuredynamics. 37(13)

Lysine-specific demethylase 1 (LSD1) was regarded as a promising anticancer target for the novel drug discovery. In this work, we carried out a molecular modeling study on the substituted pyridine derivatives as LSD1 inhibitors using three-dimensiona

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bcebe80bfaed1499c9c0340e48ee52df
https://pubmed.ncbi.nlm.nih.gov/30175693

Zobrazit plný text záznamu

Vyhledávací nástroje:

Upřesnit hledání