Zobrazeno 1 - 10
of 435
pro vyhledávání: '"SMILES, simplified molecular input line entry specification"'
Autor:
Yanfei Cai, Jingyu Zhu, Yun Chen, Jian Jin, Xinling Zhao, Kan Li, Lei Xu, Huazhong Li, Gang Huang
Publikováno v:
Journal of Advanced Research
Journal of Advanced Research, Vol 36, Iss, Pp 1-13 (2022)
Journal of Advanced Research, Vol 36, Iss, Pp 1-13 (2022)
Graphical abstract
Highlights • Virtual screening based on machine learning with multiple proteins was developed. • Discovery of a novel PI3Kγ inhibitor integrating virtual screening and bio-assays. • JN-KI3 selective inhibit PI3Kγ enzym
Highlights • Virtual screening based on machine learning with multiple proteins was developed. • Discovery of a novel PI3Kγ inhibitor integrating virtual screening and bio-assays. • JN-KI3 selective inhibit PI3Kγ enzym
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2cdbf7fb8f578b72a0c3242e69513c71
https://doi.org/10.1016/j.jare.2021.04.007
https://doi.org/10.1016/j.jare.2021.04.007
Publikováno v:
Computational and Structural Biotechnology Journal
Computational and Structural Biotechnology Journal, Vol 19, Iss, Pp 3269-3283 (2021)
Computational and Structural Biotechnology Journal, Vol 19, Iss, Pp 3269-3283 (2021)
Graphical abstract
Highlights • Exploratory changes in substructure patterns are well tolerated by C@PA. • Extended positive substructures support prediction capability. • Increased biological hit rate of 40% for multitarget pan-ABC transp
Highlights • Exploratory changes in substructure patterns are well tolerated by C@PA. • Extended positive substructures support prediction capability. • Increased biological hit rate of 40% for multitarget pan-ABC transp
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d40715d0bceb0276ecc21ab6730bd845
https://doi.org/10.1016/j.csbj.2021.05.018
https://doi.org/10.1016/j.csbj.2021.05.018
Publikováno v:
Acta Pharmaceutica Sinica. B
Acta Pharmaceutica Sinica B, Vol 11, Iss 10, Pp 3092-3104 (2021)
Acta Pharmaceutica Sinica B, Vol 11, Iss 10, Pp 3092-3104 (2021)
Mitotic catastrophe (MC) is a form of programmed cell death induced by mitotic process disorders, which is very important in tumor prevention, development, and drug resistance. Because rapidly increased data for MC is vigorously promoting the tumor-r
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::67125b5b353e7888a96a8c7614580b64
https://pubmed.ncbi.nlm.nih.gov/34729303
https://pubmed.ncbi.nlm.nih.gov/34729303
Autor:
Mingjia Zhang, Huiqi Chen, Zhenjie Zhuang, Xiaoying Zhong, Lu Zhang, Junmao Wen, Chuanjin Luo
Publikováno v:
European Journal of Integrative Medicine
Introduction Shuanghuanglian (SHL) oral liquid is a well-known traditional Chinese medicine preparation administered for respiratory tract infections in China. However, the underlying pharmacological mechanisms remain unclear. The present study aims
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9b5bc24b761c8be8ba268e44b06bdbfe
http://europepmc.org/articles/PMC7255237
http://europepmc.org/articles/PMC7255237
Autor:
Chrobak, Elwira1 (AUTHOR) echrobak@sum.edu.pl, Bober-Majnusz, Katarzyna2 (AUTHOR) bober@sum.edu.pl, Wyszomirski, Mirosław3 (AUTHOR) mwyszomirski@ubb.edu.pl, Zięba, Andrzej1 (AUTHOR) echrobak@sum.edu.pl
Publikováno v:
Pharmaceuticals (14248247). Nov2024, Vol. 17 Issue 11, p1476. 22p.
Autor:
Plyer, Louis1 (AUTHOR), Marcou, Gilles2 (AUTHOR) g.marcou@unistra.fr, Perves, Céline3 (AUTHOR), Bonachera, Fanny2 (AUTHOR), Varnek, Alexander2 (AUTHOR)
Publikováno v:
Journal of Cheminformatics. 8/1/2024, Vol. 16 Issue 1, p1-9. 9p.
Autor:
Barizi, Anis Zuhaida Mamnun1, Shamsol Azman, Ain Nabila Syahira1, Shazlan Saad, Muhamad Fikri1, Hakim Abdullah, Muhammad Nazrul2, Vuanghao Lim3, Yoke Keong Yong1 yoke_keong@upm.edu.my
Publikováno v:
Pharmacognosy Research. Jul-Sep2024, Vol. 16 Issue 3, p626-637. 12p.
Autor:
Chen, Lung-Yi1 (AUTHOR), Li, Yi-Pei1,2 (AUTHOR) yipeili@ntu.edu.tw
Publikováno v:
Journal of Cheminformatics. 6/27/2024, Vol. 16 Issue 1, p1-16. 16p.
Autor:
Dehnbostel, Frederic O.1 (AUTHOR), Dixit, Vaibhav A.2 (AUTHOR), Preissner, Robert1 (AUTHOR), Banerjee, Priyanka1 (AUTHOR) priyanka.banerjee@charite.de
Publikováno v:
Scientific Reports. 4/17/2024, Vol. 14 Issue 1, p1-19. 19p.
Autor:
Yi, Jia-Cai1,2 (AUTHOR), Yang, Zi-Yi2 (AUTHOR), Zhao, Wen-Tao1 (AUTHOR) oriental-cds@163.com, Yang, Zhi-Jiang2 (AUTHOR), Zhang, Xiao-Chen1 (AUTHOR), Wu, Cheng-Kun3 (AUTHOR), Lu, Ai-Ping4 (AUTHOR), Cao, Dong-Sheng2,4 (AUTHOR) oriental-cds@163.com
Publikováno v:
Briefings in Bioinformatics. Mar2024, Vol. 25 Issue 2, p1-10. 10p.