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. 2021 Dec 13;11(63):39728–39741. doi: 10.1039/d1ra07922k

The Libdock interaction energy of some newly synthesized compounds.

Compound ID Interaction diagram Binding mode with tubulin Libdock interaction energy (K cal mol−1)
Ref. comp. 3 graphic file with name d1ra07922k-u1.jpg CYS241 −102
Ref. comp. 4 graphic file with name d1ra07922k-u2.jpg CYS241 −97
Vb graphic file with name d1ra07922k-u3.jpg CYS241 −96.3
Vc graphic file with name d1ra07922k-u4.jpg CYS241 −87.5
Vd graphic file with name d1ra07922k-u5.jpg CYS241 −81.3
Vf graphic file with name d1ra07922k-u6.jpg CYS241 −98.71
Vj graphic file with name d1ra07922k-u7.jpg CYS241 −105.8
Vk graphic file with name d1ra07922k-u8.jpg CYS241 −94.6
VI graphic file with name d1ra07922k-u9.jpg CYS241 −104.95
VIIIa graphic file with name d1ra07922k-u10.jpg CYS241 −91.5
VIIIb graphic file with name d1ra07922k-u11.jpg CYS241 −95.2
VIIId graphic file with name d1ra07922k-u12.jpg CYS241 −97.33