In-silico and in-vitro assessments of some fabaceae, rhamnaceae, apocynaceae, and anacardiaceae species against Mycobacterium tuberculosis H37Rv and triple-negative breast cancer cells

Table 5 The predicted ADME features (SASA, dipole, Qplogs, % Human Oral Absorption and PSA), and the molecular docking XP score and Pre-MM-GBSA (ΔG_bind) values of norajmaline against 4BFX

Compound ID	mol MW (170–725)	Dipole (1.0–12.5)	SASA	^aQplogS (− 6.5 to 0.5)	PSA (7.0–200.0)	Volume	%Human Oral Absorption	Rule of Five	XP GScore (kcal/mol)	ΔG_bind (kcal/mol)
Norajmaline	318.46	1.59	532.97	–0.81	61.53	991.26	63.99	0	–7.47	–37.64

^aQPlogS-(Predicted aqueous solubility, log S. S in mol dm^–3 is the concentration of the solute in a saturated solution that is in equilibrium with the crystalline solid.)

ISSN: 2662-7671