Supplementary Figure 4
figure
posted on 2025-07-24, 12:06 authored by Xiangsheng Zhang, Yu Cao, Lu Li, Yike Liu, Pengyu Zhou, YuPei Lai, Suo Wang, Yuefen Zuo, Jiahao Chen, Chuying Chen, Jiurong Cheng, Yingdong Deng, Ziqiang Lin, Simin Tang, Peng Sun, Yan Zhang, Jun ZhouSupplementary Figure 4. Molecular docking and Molecular Dynamics simulation analysis. (A) 2D and 3D structures of quercetin. (B) 3D ligand-protein interactions of quercetin with Ccr5. (D) 3D ligand-protein interactions of quercetin with Itgb2. (D) 2D diagram of key ligand−protein interactions in the quercetin-Ccr5 complex. (E) 2D diagram of key ligand−protein interactions in the quercetin-Itgb2 complex.
