Table 2.

Candidates selected through the combined ligand- and target-based approach.

Name	MIN Score	PPV% (Ya = 0.001)	PPV% (Ya = 0.01)	Structure	Score docking	Current therapeutic indication
Clomifene	0.4837	14.64	63.38		−9.37	Used mainly in female infertility due to anovulation
Butoconazole	0.4768	14.64	63.38		−9.87	Local treatment of vulvovaginal candidiasis
Meclizine	0.4546	12.30	58.61		−8.95, −6.64a	Motion sickness and vertigo
Clemizole hydrochloride	0.4544	12.30	58.61		−8.91	Allergies
Cinnarizine	0.4273	9.20	50.56		−7.43	Motion sickness and vertigo
Centchroman	0.3798	5.67	37.76		−6.31	Primarily used as a contraceptive
Oxiconazole	0.3751	5.00	34.68		−10.44	Dermal fungal infections.
Astemizole	0.3666	4.25	30.96		−6.45	Allergies
Clofazimine	0.3605	4.06	29.92		−1.58	Leprosy

^aThe docking scores of both isomers were calculated.