Zobrazeno 1 - 10
of 32
pro vyhledávání: '"Shimin Su"'
Autor:
Baiqing Li, Shimin Su, Chan Zhu, Jie Lin, Xinyue Hu, Lebin Su, Zhunzhun Yu, Kuangbiao Liao, Hongming Chen
Publikováno v:
Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-12 (2023)
Abstract In recent years, it has been seen that artificial intelligence (AI) starts to bring revolutionary changes to chemical synthesis. However, the lack of suitable ways of representing chemical reactions and the scarceness of reaction data has li
Externí odkaz:
https://doaj.org/article/c17156337f624270b7ae21f9d05248bd
Autor:
Zhunzhun Yu, Yaxian Kong, Baiqing Li, Shimin Su, Jianhang Rao, Yadong Gao, Tianyong Tu, Hongming Chen, Kuangbiao Liao
Publikováno v:
Chemical Communications. 59:2935-2938
1,4-Dihydropyridine (DHP) derivatives play key roles in biology, but are rarely used as catalysts in synthesis.
Publikováno v:
Chinese Journal of Chemistry. 41:143-150
Publikováno v:
Chem. 8:3275-3287
Autor:
Xiaoya Zhai, Jiedong Zhou, Xingxiao Huang, Jingfan Weng, Hui Lin, Shimin Sun, Jufang Chi, Liping Meng
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-13 (2024)
Abstract Doxorubicin (DOX) is an important chemotherapeutic agent for the treatment of hematologic tumors and breast carcinoma. However, its clinical application is limited owing to severe cardiotoxicity. Pyroptosis is a form of programmed cell death
Externí odkaz:
https://doaj.org/article/3407f886382b4571829fcc7c63e78f4a
Autor:
Baiqing Li, Shimin Su, Chan Zhu, Jie Lin, Xinyue Hu, Lebin Su, Zhunzhun Yu, Kuangbiao Liao, Hongming Chen
In recent years, it has been seen that artificial intelligence (AI) starts to bring revolutionary changes to chemical synthesis. However, the lack of suitable ways of representing chemical reactions and the scarceness of reaction data has limited the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ef1927cef63c71ca8acb1855dde85d98
https://doi.org/10.21203/rs.3.rs-1665893/v1
https://doi.org/10.21203/rs.3.rs-1665893/v1
Publikováno v:
Chemical Science
Linking fragments to generate a focused compound library for a specific drug target is one of the challenges in fragment-based drug design (FBDD). Hereby, we propose a new program named SyntaLinker, which is based on a syntactic pattern recognition a
Fragment based drug design represents a promising drug discovery paradigm complimentary to the traditional HTS based lead generation strategy. How to link fragment structures to increase compound affinity is remaining a challenge task in this paradig
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9d0a29e9bcd4a592ba36375ac8f6eeba
https://doi.org/10.26434/chemrxiv.12271508.v5
https://doi.org/10.26434/chemrxiv.12271508.v5
Fragment based drug design represents a promising drug discovery paradigm complimentary to the traditional HTS based lead generation strategy. How to link fragment structures to increase compound affinity is remaining a challenge task in this paradig
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c6796f222a651f4aba9b84d46b0eb96a
https://doi.org/10.26434/chemrxiv.12271508.v2
https://doi.org/10.26434/chemrxiv.12271508.v2
Publikováno v:
Journal of chemical information and modeling. 60(3)
The copper(I)-catalyzed alkyne-azide cycloaddition (CuAAC) reaction, a major click chemistry reaction, is widely employed in drug discovery and chemical biology. However, the success rate of the CuAAC reaction is not satisfactory as expected, and in