Unveiling the antiviral inhibitory activity of ebselen and ebsulfur derivatives on SARS-CoV-2 using machine learning-based QSAR, LB-PaCS-MD, and experimental assay
利用基于机器学习的定量构效关系(QSAR)、LB-PaCS-MD方法和实验检测,揭示了依布硒仑和依布硫衍生物对SARS-CoV-2的抗病毒抑制活性。
期刊:Scientific Reports
影响因子:3.9
doi:10.1038/s41598-025-91235-1
Sinsulpsiri, Silpsiri; Nishii, Yuji; Xu-Xu, Qing-Feng; Miura, Masahiro; Wilasluck, Patcharin; Salamteh, Kanokwan; Deetanya, Peerapon; Wangkanont, Kittikhun; Suroengrit, Aphinya; Boonyasuppayakorn, Siwaporn; Duan, Lian; Harada, Ryuhei; Hengphasatporn, Kowit; Shigeta, Yasuteru; Shi, Liyi; Maitarad, Phornphimon; Rungrotmongkol, Thanyada