Table 3.

Compounds managed to pass Mpro-X77 complex pharmacophore hypothesis using Phase virtual screening

Entry	Compound name	Number of sites matched	Matched ligand sites	Phase screen score
1	Altertoxin V	4	A(1) A(2) R(12) R(-) R(13)	1.522
2	Epicocconigrone A	4	A(3) A(4) R(17) R(-) R(18)	1.428
3	Stachybogrisephenone B	4	A(4) A(6) R(-) R(14) R(15)	1.415
4	Altertoxin II	4	A(2) A(3) R(12) R(-) R(11)	1.39
5	Alternariol 5-O-methyl ether	4	A(3) A(4) R(11) R(-) R(12)	1.373
6	Emodin-8-methyl ether	4	A(4) A(1) R(10) R(-) R(11)	1.314
7	Emodin	4	A(4) A(3) R(11) R(-) R(10)	1.303
8	Altertoxin III	4	A(2) A(6) R(12) R(-) R(13)	1.285
9	Altertoxin I	4	A(2) A(4) R(13) R(-) R(12)	1.252
10	Griseoxanthone C	4	A(3) A(4) R(11) R(12) R(-)	1.235
11	Perlolyrine	4	A(1) A(2) R(7) R(6) R(-)	1.098
12	Asperphenalenone A	4	A(6) A(1) R(23) R(-) R(22)	1.094
13	Asperphenalenone D	4	A(9) A(5) R(24) R(-) R(23)	1.067
14	Altertoxin VI	4	A(1) A(3) R(11) R(-) R(12)	0.973
15	Cytonic acids A	4	A(5) A(9) R(-) R(21) R(22)	0.945
16	Neosartoryadin B	4	A(3) A(4) R(-) R(16) R(17)	0.939
17	Neosartoryadin A	4	A(2) A(5) R(16) R(15) R(-)	0.936
18	Cytonic acid B	4	A(6) A(8) R(22) R(21) R(-)	0.876

Ligands having Phase screen score above 0.5 are screened