Research

張倩倩 Zhang Qianqian

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 Biography

Dr. Zhang Qianqian is a lecturer at Macao Polytechnic University. She graduated from Lanzhou University in 2022 with a Ph.D. in Medicinal Chemical Biology. Her main research area is CADD, including the mechanism of anti-tuberculosis drug resistance at the molecular level, the conformational transition mechanism of bio-macromolecular systems, structure-based virtual screening and drug design.

 Education and Experiences

Educational background
2017-2022: Ph.D. degree at School of Pharmacy, Lanzhou University, Major in Medicinal Chemical Biology
2013-2017: B.S. degree at School of Chemistry and Chemical Engineering, Henan Normal University, Major in Pharmaceutical Engineering

Work experiences:
22023-present: Lecturer, Macao Polytechnic University

 Research Interests

• Drug resistance mechanisms at molecular level explored by molecular dynamic simulation
• Macromolecular conformation transition mechanisms explored by enhanced sampling molecular dynamic simulation
• Structure/ligand-based virtual screening and drug design

 Selected Publications

1. Zhao N^#, Zhang Q^#, Yu F, Yao X, Liu H. The α-Synuclein Monomer May Have Different Misfolding Mechanisms in the Induction of α-Synuclein Fibrils with Different Polymorphs. Biomolecules. 2023, 13:682. (^#Co-first author, IF=6.064)
2. Zhang Q, Han J, Zhu Y, Tan SY, Liu H. Binding Thermodynamics and Dissociation Kinetics Analysis Uncover the Key Structural Motifs of Phenoxyphenol Deriva-tives as the Direct InhA Inhibitors and the Hotspot Residues of InhA. International Journal of Molecular Sciences, 2022, 23:10102. (IF=6.208)
3. Zhou Y^#, Liu H^#, Song Y^#, Zhang Q^#, Kan Y, Tang X, Xiao Q, Xiang Q, Liu H, Luo Y, Bao R. Structural and dynamics studies of the SpCas9 variant provide insights into the regulatory role of the REC1 domain. ACS Catalysis, 2022, 12:8687-8697. (^#Co-first author, IF= 13.700)
4. Zhang Q, Zhao N, Meng X, Yu F, Yao X, Liu H. The prediction of protein-ligand unbinding for modern drug discovery. Expert Opinion on Drug Discovery, 2022, 17:191-205. (IF= 7.050)
5. Zhang Q, Yang Y, Gong X, Zhao N, Zhang Y, Liu H. Thermodynamic Integration Combined with Molecular Dynamic Simulations to Explore the Cross-Resistance Mechanism of Isoniazid and Ethionamide. Proteins, 2022, 90:1142-1151. (IF=4.088)
6. Zhao N^#, Zhang Q^#, Zhao C, Liu L, Li T, Li C, He L, Zhu Y, Song Y, Liu H, Bao R. Structural and molecular dynamic studies of Pseudomonas aeruginosa OdaA reveal the regulation role of a C-terminal hinge element. Biochimica et Biophysica Acta-General Subjects, 2021, 1865:129756. (^#Co-first author, IF= 4.117)
7. Zhang Q, Tan S, Xiao T, Liu H L, Shah SJA, Liu H X. Probing the Molecular Mechanism of Rifampin Resistance Caused by the Point Mutations S456L and D441V on Mycobacterium tuberculosis RNA Polymerase through Gaussian Accelerated Molecular Dynamics Simulation. Antimicrobial Agents and Chemotherapy, 2020, 64:e02476-19. (IF=5.938)
8. Zhang Q, An X, Liu H L, Wang S, Xiao T, Liu H X. Uncovering the Resistance Mechanism of Mycobacterium tuberculosis to Rifampicin Due to RNA Polymerase H451D/Y/R Mutations From Computational Perspective. Frontiers in Chemistry, 2019, 7:819. (IF= 5.545)
9. Tian J^#, Zhang Q^#, An X, Liu H L, Liu Y, Liu H X. Molecular Dynamics Simulations Study on the Resistant Mechanism of Insects to Imidacloprid due to Y151-S and R81T Mutations in nAChRs. Molecular Informatics, 2019, 38:e1800125. (^#Co-first author, IF=4.050)