Antifungal activity and biocompatibility assessment with molecular docking and dynamic simulations of new pyrazole derivatives

Table 2 IZD for fungal strains administered with pyrazole derivatives following a 72 h incubation period at 28 °C

Pyrazole derivatives (1000 µg/ml)	A. niger ATCC 11414		A. flavus ATCC 9643		*P. chrysogenum* ATCC 10106		*R. oryzae* ATCC 96382
Pyrazole derivatives (1000 µg/ml)	IZD (mm)	AI	IZD (mm)	AI	IZD (mm)	AI	IZD (mm)	AI
1	0	0	0	0	0	0	0	0
3a	0	0	0	0	0	0	0	0
3b	32 ± 0.14^a	1.0	30 ± 0.13^b	1.0	20 ± 0.11^e	0.87	0	0
3c	0	0	0	0	0	0	0	0
3d	0	0	0	0	0	0	0	0
3e	0	0	0	0	0	0	0	0
3f	0	0	0	0	0	0	0	0
3g	18 ± 0.77^f	0.56	0	0	0	0	0	0
3h	0	0	0	0	15 ± 0.25^g	0.65	0	0
5	0	0	0	0	0	0	0	0
6	0	0	0	0	0	0	0	0
7	0	0	0	0	13 ± 0.11^h	0.56	0	0
8	0	0	0	0	0	0	0	0
10a	0	0	0	0	0	0	0	0
10b	28 ± 0.12^c	0.87	0	0	20 ± 0.13^e	0.87	0	0
10c	0	0	0	0	0	0	0	0
10d	0	0	0	0	0	0	0	0
10e	0	0	0	0	11 ± 0.04ⁱ	0.48	0	0
11	0	0	0	0	0	0	0	0
12	25 ± 0.08^f	0.78	23 ± 0.02^d	0.72	0	0	0	0
Standard antifungal (Fluconazole 1000 µg/ml)	32.0 ± 0.20^a		30.02 ± 0.05^b		23.1 ± 0.06^d		20.99 ± 0.05^e

According to [28], the same-letter variables do not differ much from one another
AI Activity index, mm Millimeter

ISSN: 1472-6750