Zobrazeno 1 - 10
of 111
pro vyhledávání: '"Huiyong Sun"'
Publikováno v:
Journal of Cheminformatics, Vol 14, Iss 1, Pp 1-13 (2022)
Abstract Protein mutations occur frequently in biological systems, which may impact, for example, the binding of drugs to their targets through impairing the critical H-bonds, changing the hydrophobic interactions, etc. Thus, accurately predicting th
Externí odkaz:
https://doaj.org/article/d5fd443127bf49ab863df20508126b8d
Autor:
Yang Yu, Zhe Wang, Lingling Wang, Qinghua Wang, Rongfan Tang, Sutong Xiang, Qirui Deng, Tingjun Hou, Huiyong Sun
Publikováno v:
Research, Vol 6 (2023)
Anaplastic lymphoma kinase (ALK), a tyrosine receptor kinase, has been proven to be associated with the occurrence of numerous malignancies. Although there have been already at least 3 generations of ALK inhibitors approved by FDA or in clinical tria
Externí odkaz:
https://doaj.org/article/c557bad67ecf4f5b8da9678081f1cb4d
Publikováno v:
Journal of Pharmaceutical Analysis, Vol 10, Iss 2, Pp 194-199 (2020)
Amyloid fibrils are found in systemic amyloidosis diseases such as Alzheimer’s disease, Parkinson’s disease, and type II diabetes. Currently, these diseases are diagnosed by observation of fibrils or plaques, which is an ineffective method for ea
Externí odkaz:
https://doaj.org/article/a3bfd8fea3d34dac8ba0b3c5e33bf2a9
Autor:
Wenfang Zhou, Mojie Duan, Weitao Fu, Jinping Pang, Qin Tang, Huiyong Sun, Lei Xu, Shan Chang, Dan Li, Tingjun Hou
Publikováno v:
Genomics, Proteomics & Bioinformatics, Vol 16, Iss 6, Pp 416-427 (2018)
Androgen receptor (AR) is a ligand-activated transcription factor that plays a pivotal role in the development and progression of many severe diseases such as prostate cancer, muscle atrophy, and osteoporosis. Binding of ligands to AR triggers the co
Externí odkaz:
https://doaj.org/article/aa671940c5c34c26b05f3e2792f75ec6
Publikováno v:
Journal of Cheminformatics, Vol 9, Iss 1, Pp 1-15 (2017)
Abstract Deciphering the structural determinants of protein–protein interactions (PPIs) is essential to gain a deep understanding of many important biological functions in the living cells. Computational approaches for the structural modeling of PP
Externí odkaz:
https://doaj.org/article/c0bda1b058b44633a9f805d2ca7e761b
Autor:
Peichen Pan, Huidong Yu, Qinglan Liu, Xiaotian Kong, Hu Chen, Jiean Chen, Qi Liu, Dan Li, Yu Kang, Huiyong Sun, Wenfang Zhou, Sheng Tian, Sunliang Cui, Feng Zhu, Youyong Li, Yong Huang, Tingjun Hou
Publikováno v:
ACS Central Science, Vol 3, Iss 11, Pp 1208-1220 (2017)
Externí odkaz:
https://doaj.org/article/dec039c48c8c41a3ba5287bb397d44c1
Autor:
Xiaotian Kong, Huiyong Sun, Peichen Pan, Dan Li, Feng Zhu, Shan Chang, Lei Xu, Youyong Li, Tingjun Hou
Publikováno v:
Scientific Reports, Vol 7, Iss 1, Pp 1-11 (2017)
Abstract Janus kinase 2 (JAK2) has been regarded as an essential target for the treatment of myeloproliferative neoplasms (MPNs). BBT594 and CHZ868, Type-II inhibitors of JAK2, illustrate satisfactory efficacy in preclinical MPNs and acute lymphoblas
Externí odkaz:
https://doaj.org/article/03cf48cea5864341a8f24ed238c7bd07
Autor:
Jun Shang, Huiyong Sun, Hui Liu, Fu Chen, Sheng Tian, Peichen Pan, Dan Li, Dexin Kong, Tingjun Hou
Publikováno v:
Journal of Cheminformatics, Vol 9, Iss 1, Pp 1-16 (2017)
Abstract Large purchasable screening libraries of small molecules afforded by commercial vendors are indispensable sources for virtual screening (VS). Selecting an optimal screening library for a specific VS campaign is quite important to improve the
Externí odkaz:
https://doaj.org/article/593746283a7a47d4a77c3d7217dda790
Publikováno v:
Structural Dynamics, Vol 5, Iss 6, Pp 064101-064101-22 (2018)
At present, the calculated binding free energy obtained using the molecular mechanics/Poisson-Boltzmann (Generalized-Born) surface area (MM/PB(GB)SA) method is overestimated due to the lack of knowledge of suitable interior dielectric constants in th
Externí odkaz:
https://doaj.org/article/02409129adc7494d8b094dca96e02b46
Publikováno v:
PLoS Computational Biology, Vol 10, Iss 7, p e1003729 (2014)
Tyrosine kinases are regarded as excellent targets for chemical drug therapy of carcinomas. However, under strong purifying selection, drug resistance usually occurs in the cancer cells within a short term. Many cases of drug resistance have been fou
Externí odkaz:
https://doaj.org/article/18769ee738a046cda68afa7a2f277b19