LigBuilder V3: A Multi-Target de novo Drug Design Approach

por Yuan, Yaxia, Pei, Jianfeng, Lai, Luhua
Publicado no Front Chem (2020)

Flipped phenyl ring orientations of dopamine binding with human and drosophila dopamine transporters: Remarkable role of three non-conserved residues

por Yuan, Yaxia, Zhu, Jun, Zhan, Chang-Guo
Publicado no ACS Chem Neurosci (2018)

Improved prediction of blood–brain barrier permeability through machine learning with combined use of molecular property-based descriptors and fingerprints

por Yuan, Yaxia, Zheng, Fang, Zhan, Chang-Guo
Publicado no AAPS J (2018)

Unexpected Reaction Pathway for butyrylcholinesterase-catalyzed inactivation of “hunger hormone” ghrelin

por Yao, Jianzhuang, Yuan, Yaxia, Zheng, Fang, Zhan, Chang-Guo
Publicado no Sci Rep (2016)

Computational modeling of human dopamine transporter structures, mechanism and its interaction with HIV-1 transactivator of transcription

por Yuan, Yaxia, Huang, Xiaoqin, Zhu, Jun, Zhan, Chang-Guo
Publicado no Future Med Chem (2016)

Structure-based virtual screening leading to discovery of highly selective butyrylcholinesterase inhibitors with solanaceous alkaloid scaffolds

por Zhou, Shuo, Yuan, Yaxia, Zheng, Fang, Zhan, Chang-Guo
Publicado no Chem Biol Interact (2019)

Assays and technologies for developing proteolysis targeting chimera degraders

por Liu, Xingui, Zhang, Xuan, Lv, Dongwen, Yuan, Yaxia, Zheng, Guangrong, Zhou, Daohong
Publicado no Future Med Chem (2020)

Selective Inhibitors of Human mPGES-1 from Structure-Based Computational Screening

por Zhou, Ziyuan, Yuan, Yaxia, Zhou, Shuo, Ding, Kai, Zheng, Fang, Zhan, Chang-Guo
Publicado no Bioorg Med Chem Lett (2017)

Role of Histidine 547 of Human Dopamine Transporter in Molecular Interaction with HIV-1 Tat and Dopamine Uptake

por Yuan, Yaxia, Quizon, Pamela M., Sun, Wei-Lun, Yao, Jianzhuang, Zhu, Jun, Zhan, Chang-Guo
Publicado no Sci Rep (2016)

DREAM-in-CDM Approach and Identification of a New Generation of Anti-inflammatory Drugs Targeting mPGES-1

por Zhou, Shuo, Zhou, Ziyuan, Ding, Kai, Yuan, Yaxia, Loftin, Charles, Zheng, Fang, Zhan, Chang-Guo
Publicado no Sci Rep (2020)

Influence of Sugar Amine Regiochemistry on Digitoxigenin Neoglycoside Anticancer Activity

por Zhang, Jianjun, Ponomareva, Larissa V., Nandurkar, Nitin S., Yuan, Yaxia, Fang, Lei, Zhan, Chang-Guo, Thorson, Jon S.
Publicado no ACS Med Chem Lett (2015)

Molecular mechanism: the human dopamine transporter histidine 547 regulates basal and HIV-1 Tat protein-inhibited dopamine transport

por Quizon, Pamela M., Sun, Wei-Lun, Yuan, Yaxia, Midde, Narasimha M., Zhan, Chang-Guo, Zhu, Jun
Publicado no Sci Rep (2016)

Synthesis and Liver Microsomal Metabolic Stability Studies of a Fluoro-Substituted δ-Tocotrienol Derivative

por Liu, Xingui, Poddar, Saikat, Song, Lin, Hendrickson, Howard, Zhang, Xuan, Yuan, Yaxia, Zhou, Daohong, Zheng, Guangrong
Publicado no ChemMedChem (2020)

PROteolysis TArgeting Chimeras (PROTACs) as emerging anticancer therapeutics

por Khan, Sajid, He, Yonghan, Zhang, Xuan, Yuan, Yaxia, Pu, Shaoyan, Kong, Qingpeng, Zheng, Guangrong, Zhou, Daohong
Publicado no Oncogene (2020)

Allosteric modulatory effects of SRI-20041 and SRI-30827 on cocaine and HIV-1 Tat protein binding to human dopamine transporter

por Sun, Wei-Lun, Quizon, Pamela M., Yuan, Yaxia, Zhang, Wei, Ananthan, Subramaniam, Zhan, Chang-Guo, Zhu, Jun
Publicado no Sci Rep (2017)

Mutations at Tyrosine 88, Lysine 92 and Tyrosine 470 of human dopamine transporter result in an attenuation of HIV-1 Tat-induced inhibition of dopamine transport

por Midde, Narasimha M., Yuan, Yaxia, Quizon, Pamela M., Sun, Wei-Lun, Huang, Xiaoqin, Zhan, Chang-Guo, Zhu, Jun
Publicado no J Neuroimmune Pharmacol (2015)

Molecular Mechanism of HIV-1 Tat Interacting with Human Dopamine Transporter

por Yuan, Yaxia, Huang, Xiaoqin, Midde, Narasimha M., Quizon, Pamela M., Sun, Wei-Lun, Zhu, Jun, Zhan, Chang-Guo
Publicado no ACS Chem Neurosci (2015)

The molecular basis of talin2’s high affinity toward β1-integrin

por Yuan, Yaxia, Li, Liqing, Zhu, Yanyan, Qi, Lei, Azizi, Latifeh, Hytönen, Vesa P., Zhan, Chang-Guo, Huang, Cai
Publicado no Sci Rep (2017)

Discovery of PROTAC BCL-X(L) Degraders as Potent Anticancer Agents with Low On-target Platelet Toxicity

por Zhang, Xuan, Thummuri, Dinesh, Liu, Xingui, Hu, Wanyi, Zhang, Peiyi, Khan, Sajid, Yuan, Yaxia, Zhou, Daohong, Zheng, Guangrong
Publicado no Eur J Med Chem (2020)

HIV-1 transgenic rats display an increase in [(3)H]dopamine uptake in the prefrontal cortex and striatum

por Zhu, Jun, Yuan, Yaxia, Midde, Narasimha M., Gomez, Adrian M., Sun, Wei-Lun, Quizon, Pamela M., Zhan, Chang-Guo
Publicado no J Neurovirol (2015)