Researchers

Kai Liu

Title: Professor

First name: Kai

Surname: Liu

Web Site:

E-mail: kai.liu1@uq.edu.au

I received my PhD from Kyushu University in 2013 for developing an accurate and efficient computational method, known as Elongation, to deal with bio-molecules. Then, I spent about 3.5 years as a research scientist for drug discovery in company (3 years at Takeda Pharmaceuticals in Japan, 0.5 year at Hitgen in China). After that, I moved to Guangxi University of Chinese Medicine and started my academic research since 2018. In 2024, I joined the Fairlie group as a research visitor.

Research Interests:

Small-molecule drug discovery target at kinases Property prediction of natural products by quantum chemistry calculation Interaction evaluation of protein-ligand complex by molecular dynamics simulation

Publications:

  1. Wang, L.; Guo, Z.; Cheng, L.; Nian, H.; Yao, N.; Zhao, Y.; Liu, K; Cao, L., Tetraphenylethene-linked octacationic dicyclophanes with enhanced recognition of NADH over NAD+ in water. Dyes and Pigments 2023, 216, 111364.
  2. Qin, Y.; Cao, P.; Parmar, V. S.; Liu, Y.; Gao, C.; Liu, K, The quantitative pyrrole protection of l-phenylalanine/l-phenylalaninol in aqueous media and rationally updating the mechanisms of the Clauson-Kaas reaction through DFT study. RSC Advances 2023, 13, 35825-35830.
  3. Lu, C.; Li, Y.; Zhu, W.; Yang, Y.; Liu, K; Li, Q.; Gao, M., A Theranostic Probe for Promotion of Skin Wound Healing by Exudate-Triggered H(2)S Release with Self-Monitoring Ability. ACS Appl Bio Mater 2023, 6, 674-680.
  4. Liu, K; Xie, Y.; Qin, Y.; Parmar, V. S.; Liu, Y.; Cao, P., The Metal- and Column-free Synthesis of Pyridin-2-yl Ureas carrying Cyclic Secondary Amine Substituents and Establishing the Mechanism of the Reactions through Computational Study. Org. Chem. Front 2023, 10, 3182-3192.
  5. Dai, S.; Tao, M.; Zhong, Y.; Li, Z.; Liang, J.; Chen, D.; Liu, K; Wei, B.; Situ, B.; Gao, M.; Tang, B. Z., In Situ Generation of Red-to-NIR Emissive Radical Cations in the Stomach for Gastrointestinal Imaging. Adv. Mater. 2023, 35, e2209940.
  6. Zhou, Z.; Qian, J.; Liu, K; Zhang, Y.; Gao, M.; Tang, B. Z., A Water-Stable and Red-Emissive Radical Cation for Mutp53 Cancer Therapy. Angew Chem Int Ed Engl 2022, 61, e202212671.
  7. Zhang, Z.; Pan, W.; Xie, Y.; Liu, K; Gao, M.; Wang, Y., Photoactivatable tandem fluorescence imaging of organelles and their interplay monitoring. Mater. Chem. Front. 2022, 6, 3662-3668.
  8. Zhang, Y.; Li, Z.; Huang, B.; Liu, K; Peng, S.; Liu, X.; Gao, C.; Liu, Y.; Tan, Y.; Luo, X., Anti-Osteoclastogenic and Antibacterial Effects of Chlorinated Polyketides from the Beibu Gulf Coral-Derived Fungus Aspergillus unguis GXIMD 02505. Mar. Drugs 2022, 20, 178.
  9. Xie, Y.; Cao, P.; Qin, Y.; Wu, X.; Huang, B.; Liu, K; Liu, Y., Catalytic activity in vitro of the human protein kinase ASK1 mutants: Experimental and molecular simulation study. Comput. Biol. Chem. 2022, 99, 107712.

Former Group Members