In Silico Antitubercular Activity Analysis of Benzofuran and Naphthofuran Derivatives

Table 2

Molecular docking interaction details of benzofuran and naphthofuran derivatives against NarL protein.

Compounds	BE*	LE*	IC^+	IE*	VE*	EE*	TI*	TE*
C1	−6.99	−0.39	7.54	−7.88	−7.82	−0.06	0.2	0.89
C2	−5.26	−0.22	140.42	−5.85	−5.63	−0.22	−0.39	0.6
C3	−3.76	−0.18	1750	−5.25	−5.37	0.12	−0.32	1.49
C4	−5.14	−0.19	171.81	−6.03	−5.93	−0.1	−0.8	0.89
C5	−4.31	−0.15	696.53	−5.5	−5.55	0.05	−0.43	1.19
C6	−5.21	−0.25	152.05	−7.6	−7.6	0	0	2.39
C7	−4.13	−0.26	940.59	−5.62	−5.35	−0.27	−0.18	1.49
C8	−4.41	−0.25	582.62	−5.31	−5.5	0.2	−0.11	0.89

BE = binding energy, LE = ligand efficiency, IC = inhibition constant, IE = intermolecular energy, VE = Van der Waals + hydrogen bonding + desolvation energy, EE = electrostatic energy, TI = total internal energy, TE = torsional energy, * = kcal/mol, and + = micro molar.