Tyrosinase Inhibitory Activity, 3D QSAR, and Molecular Docking Study of 2,5-Disubstituted-1,3,4-Oxadiazoles

Table 4

Selected descriptors, actual and predicted activity of tyrosinase inhibitors.

Compound	Descriptors			Activity
	S_793	S_757	E_550	Actual	Predicted	Residue
** 4a	−0.00631	17.92055	2.079088	1.182129	1.325233	−0.1431
4b	−0.00557	10.99283	−0.7936	0.949878	0.992882	−0.043
4c	−0.00743	20.20807	2.151223	1.607562	1.533583	0.073979
4d	−0.00743	20.20807	2.151223	1.557868	1.533583	0.024285
4e	−0.00651	30	1.927336	1.581039	1.569836	0.011203
4f	−0.00574	19.12609	−1.80536	1.079904	1.131727	−0.05182
4g	−0.00629	18.09468	3.132391	1.245759	1.361143	−0.11538
** 4h	−0.00574	10.46793	−0.80766	1.5989	1.007527	0.591373
** 4i	−0.00744	19.83572	4.267113	1.55364	1.600056	−0.04642
4j	−0.00744	19.83572	4.267113	1.529045	1.600056	−0.07101
4k	−0.00654	30	−5.24257	1.26998	1.331729	−0.06175
4l	−0.0076	30	−5.36661	1.512684	1.483861	0.028823
4m	−0.00607	30	2.570345	1.614264	1.527344	0.08692
4n	−0.0069	6.383675	3.156899	1.34557	1.23779	0.10778
** 4o	−0.00772	17.78855	1.660719	1.4524	1.516313	−0.06391
4p	−0.00772	17.78855	1.660719	1.499275	1.516313	−0.01704
4q	−0.00673	30	1.170805	1.539327	1.577306	−0.03798
4r	−0.00787	30	1.006801	1.680517	1.73882	−0.0583
4s	−0.00637	30	−2.43434	1.852554	1.805904	0.097768
4t	−0.00694	30	−2.22493	1.782629	1.694316	0.025586

**Test set compounds.