Table 2.

Compounds managed to pass PLpro-GRL0167 complex pharmacophore hypothesis using Phase virtual screening

Entry	Compound name	Number of sites matched	Matched ligand sites	Phase screen score
1	Stachybogrisephenone B	4	A(3) D(7) D(8) R(14) R(-)	1.766
2	4-Dehydroxyaltersolanol A	4	A(5) D(10) D(9) R(13) R(-)	1.723
3	Aspergilline D	4	A(3) D(10) D(11) R(-) R(17)	1.717
4	Altersolanol B	4	A(4) D(9) D(8) R(11) R(-)	1.669
5	Aspergilline E	4	A(3) D(12) D(13) R(-) R(20)	1.513
6	Cytonic acid B	4	A(4) D(12) D(-) R(21) R(20)	1.436
7	Perlolyrine	4	A(1) D(-) D(4) R(6) R(9)	1.435
8	Neosartoryadin A	4	A(3) D(-) D(8) R(12) R(11)	1.434
9	Asperphenalenone D	4	A(7) D(13) D(12) R(23) R(-)	1.419
10	Cordycepin	4	A(4) D(8) D(7) R(-) R(12)	1.400
11	Asperphenalenone A	4	A(6) D(9) D(8) R(22) R(-)	1.330
12	Cytonic acid A	4	A(3) D(9) D(-) R(19) R(20)	1.290
13	Altertoxin I	4	A(1) D(9) D(8) R(-) R(12)	1.244
14	Aspergilline A	4	A(6) D(9) D(7) R(-) R(15)	0.528
15	Aspergilline C	4	A(6) D(9) D(7) R(-) R(17)	0.505

Ligands having Phase screen score above 0.5 are screened