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. 2021 Apr 6:1–15. doi: 10.1080/07420528.2021.1903027

Table 3.

Interacting amino acid residues of target protein SARS-CoV-2 Mpro with five proposed circadian clock-modulating small molecules as its potent inhibitors

S.No. Small molecules Target protein Integrating amino acid residues
1. SRT2183 SARS-CoV-2 Mpro GLN110, PRO252, ILE249, VAL297, PRO293, VAL202, PHE294, LEU253, THR292, ASN151, PHE8, THR111, ASN203, HIS246.
2. Neoruscogenin LEU287, LYS137, LEU272, LEU286, GLY275, LEU271, TYR239, GLU288, THR199, ASP289, ARG131.
3. SR10067 ASN151, GLN110, PHE294, ASP153, VAL104, ILE249, PRO293, ILE152, PHE8, TYR154, SER158, LYS102, THR292, THR111.
4. SRT1720 GLN110, VAL202, PRO293, ILE249, PHE294, PRO252, HIS246, ASN203, THR292, GLY109, PHE8, ASN151, ASP295, THR111, VAL297.
5. CX-4945 THR111, ASN151, ASP295, PHE294, PRO293, ILE249, THR292, PHE112, PHE8, ILE152, ASP153, TYR154, GLN110.