Research Article

[Retracted] Screening of Prospective Plant Compounds as H1R and CL1R Inhibitors and Its Antiallergic Efficacy through Molecular Docking Approach

Table 1

Top 10/10 good scoring compounds against H1R and CL1R.

Compound IDS-scoreRMSD refineReceptorInteraction
H1RCL1RH1RCL1RH1RCL1RH1RCL1RH1RCL1R

1005421611843082-18.918-15.4811.9651.068Tyr 458, Lys191, Ser111, His450Ser118, Phe202, Tyr209,Thr290H-don, H-don, H-Accp, H-donarH-Accp, H-Pi, H-Don, H-Don
39347172284-18.361-15.4511.5281.754Asn443, Lys191Tyr209, Phe202H-don, H-donH-Don, H-Pi
714489395282102-18.040-15.4441.4122.338Lys274, Lys 245, Arg377Phe202,Thr239H-don, H-donH-Pi, H-Accp
1072257766559251-17.067-14.3642.4611.520Thr112, Asp107Asp19, Lys162, His190, Tyr104H-don, H-AccpH-Accp, H-Don, H-Don, H-Accp
442614102506430-15.518-14.2581.3702.090Lys245Arg79, Tyr104, Glu175H-piH-Don, H-Accp, H-Accp
1043658310365031-15.333-13.8282.3992.236Ala343, Trp257, Lys274His190, Arg79H-Accp, H-Pi, H-PiH-Accp, H-Don
7130691510742453-15.045-13.6522.3052.135Ala343, Lys274Asp19, Gln274, Arg253H-Accp, H-DonH-Accp, H-Don, H-Don
119688936476337-13.677-13.4621.5222.239Ser378, Lys274, Lys245, Thr382Phe202,Tyr209H-Accp, H-Don, H-AccpH-Pi, H-Accp
4456664910746683-13.204-13.3761.4891.806Lys245, Asn243, Glu345Ser118H-Don, H-Don, H-AccpH-Accp
16153844479224-13.028-12.9540.89531.3401Lys245, Glu254Ser118H-Don, H-AccpH-Donor