In Silico Study of Leishmania donovani α-β Tubulin and Inhibitors

Table 2

Activity of dinitroaniline analogues against leishmanial tubulin in vitro and energy values (kcal mol⁻¹) for docked pose.

Compd	% inhibition of LdTUB	Colchicine domain 𝐸Score	Vinca domain 𝐸score	L loop domain 𝐸score
1	54.0	−100.4	−97.9	−105.8
2	57.0	−98.4	−119.6	−109.4
3	34.0	−98.3	−113.9	−97.7
4	58.0	−97.5	−116.3	−109.0
5	43.0	−99.5	−122.7	−90.5
6	89.0	−94.8	−129.5	−119.9
7	108.0	−101.0	−138.6	−129.6
8	48.0	−117.6	−63.8	−118.6
9	95.0	−114.1	−142.3	−122.6
10	25.0	−103.7	−108.0	−71.9
11	19.0	−92.9	−93.3	−81.7