Zobrazeno 1 - 10
of 45
pro vyhledávání: '"Xiang Simon Wang"'
Publikováno v:
Journal of Enzyme Inhibition and Medicinal Chemistry, Vol 33, Iss 1, Pp 525-535 (2018)
Histone deacetylase 3 (HDAC3) is a potential target for the treatment of human diseases such as cancers, diabetes, chronic inflammation and neurodegenerative diseases. Previously, we proposed a virtual screening (VS) pipeline named “Hypo1_FRED_SAHA
Externí odkaz:
https://doaj.org/article/8a75497e302646a2971a9baf6c1234f8
Publikováno v:
International Journal of Molecular Sciences, Vol 18, Iss 1, p 137 (2017)
Histone deacetylase 3 (HDAC3) has been recently identified as a potential target for the treatment of cancer and other diseases, such as chronic inflammation, neurodegenerative diseases, and diabetes. Virtual screening (VS) is currently a routine tec
Externí odkaz:
https://doaj.org/article/9cb967dde0c64f04a725923cb9cfea90
Publikováno v:
Expert Opinion on Drug Discovery. 16:1175-1192
Introduction: Structure-based virtual screening (SBVS) is an essential strategy for hit identification. SBVS primarily uses molecular docking, which exploits the protein–ligand binding mode and ass...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::078e9d6f36e75f2ffb6ea2e7e638bafd
https://doi.org/10.1080/17460441.2021.1929921
https://doi.org/10.1080/17460441.2021.1929921
Publikováno v:
Chemical Biology & Drug Design
CC chemokine receptor 2 (CCR2) antagonists that disrupt CCR2/MCP‐1 interaction are expected to treat a variety of inflammatory and autoimmune diseases. The lack of CCR2 crystal structure limits the application of structure‐based drug design (SBDD
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cd1336a2fcb336d7d861e80e504263ed
https://doi.org/10.1111/cbdd.13820
https://doi.org/10.1111/cbdd.13820
Publikováno v:
Bioorganic Chemistry. 86:224-234
Protein tyrosine phosphatase 1B (PTP1B) has recently been identified as a potential target of Norathyriol. Unfortunately, Norathyriol is not a potent PTP1B inhibitor, which somewhat hinders its further application. Based on the fact that no study on
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::016f7b5cc6cfbfd429a6740b14ca235b
https://doi.org/10.1016/j.bioorg.2019.01.059
https://doi.org/10.1016/j.bioorg.2019.01.059
Autor:
Xing Wang, Hongmin Zhang, Jie Xia, Wenjie Xue, Yuxi Wang, Zhufang Shen, Song Wu, Yi Huan, Zhenyi Wang, Zhenming Liu, Xiang Simon Wang, Liangren Zhang, Jui-Hua Hsieh
Publikováno v:
Journal of chemical information and modeling. 60(3)
Farnesoid X receptor (FXR) agonists can reverse dysregulated bile acid metabolism, and thus, they are potential therapeutics to prevent and treat nonalcoholic fatty liver disease. The low success rate of FXR agonists' R&D and the side effects of clin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f2184a5c014452337ed16ff379df2e32
https://pubmed.ncbi.nlm.nih.gov/32050066
https://pubmed.ncbi.nlm.nih.gov/32050066
Publikováno v:
Journal of Chemical Information and Modeling. 57:1414-1425
Structure-based virtual screening (SBVS) has become an indispensable technique for hit identification at the early stage of drug discovery. However, the accuracy of current scoring functions is not high enough to confer success to every target and th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::adf20965c58a1eeda912766635a95150
https://doi.org/10.1021/acs.jcim.6b00749
https://doi.org/10.1021/acs.jcim.6b00749
Publikováno v:
Molecular Informatics. 39:1900151
Ligand enrichment assessment based on benchmarking data sets has become a necessity for the rational selection of the best-suited approach for prospective data mining of drug-like molecules. Up to now, a variety of benchmarking data sets had been gen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::469dd6882052bd86896e16eab05e7819
https://doi.org/10.1002/minf.201900151
https://doi.org/10.1002/minf.201900151
Chemokine receptors (CRs) have long been druggable targets for the treatment of inflammatory diseases and HIV 1 infection. As a powerful technique, virtual screening (VS) has been widely applied to identifying small molecule leads for modern drug tar
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1b6dcc7f88afb8edff060b71f94cebfa
https://europepmc.org/articles/PMC6197807/
https://europepmc.org/articles/PMC6197807/
Publikováno v:
Journal of chemometrics. 31(12)
Quionolone carboxylic acid derivatives as inhibitors of HIV-1 integrase were investigated as a potential class of drugs for the treatment of acquired immunodeficiency syndrome (AIDS). Hologram quantitative structure-activity relationships (HQSAR) and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9a245752647b3eda824064d93ad3f427
https://pubmed.ncbi.nlm.nih.gov/29606793
https://pubmed.ncbi.nlm.nih.gov/29606793