Identification of Concomitant Inhibitors against Glutamine Synthetase and Isocitrate Lyase in Mycobacterium tuberculosis from Natural Sources

Table 2

Table of ADME-Tox study.

Compound	Oral bioavailability							Pharmacokinetic properties	LogKp (skin permeation)	Water solubility	Lipinski/Ghose/Veber (pass(Y)/fail (N))
	MW	cLogP	HBA	HBD	RB	TPSA (Å^2)	B-score
Azadiaradione	450.57 g/mol	4.3	5	0	3	73.58	0.55	GI absorption high	-5.60 cm/s	Insoluble	Y/Y/Y
7-Desacetyl-7-benzoylazadiradione	512.64 g/mol	5.38	5	0	4	73.58	0.17	GI absorption low	-4.83 cm/s	Poorly soluble	N/N/Y
7-Desacetyl-7-benzoylgedunin	544.63 g/mol	4.86	7	0	4	95.34	0.55	GI absorption high	-5.45 cm/s	Poorly soluble	Y/N/Y
alpha-amyrin	426.72 g/mol	7.05	1	1	0	20.23	0.55	GI absorption low	-2.51 cm/s	Poorly soluble	Y/N/Y
Gedunin	482.57 g/mol	3.73	7	0	3	95.34	0.55	GI absorption; High	-6.25 cm/s	Moderately soluble	Y/N/Y

MW: molecular weight; cLogP: consensus lipophilicity score; HBA: H-bond acceptor; HBD: H-bond donor; RB: no. of rotatable bonds; PSA: polar surface area; B-score: bioavailability score; Lipinski/Ghose/Veber: rules of drug discovery.