PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 35457257-7 2022 By applying this workflow to MMP-9, we proposed two potent natural product inhibitors (laetanine 9 and genkwanin 10) that interact with hotspot residues of the hemopexin domain of MMP-9. genkwanin 103-112 matrix metallopeptidase 9 Homo sapiens 29-34 35457257-7 2022 By applying this workflow to MMP-9, we proposed two potent natural product inhibitors (laetanine 9 and genkwanin 10) that interact with hotspot residues of the hemopexin domain of MMP-9. genkwanin 103-112 matrix metallopeptidase 9 Homo sapiens 180-185 35457257-8 2022 Laetanine 9 and genkwanin 10 bind to MMP-9 with a dissociation constant (KD) of 21.6 and 0.614 muM, respectively. genkwanin 16-25 matrix metallopeptidase 9 Homo sapiens 37-42 35457257-9 2022 Overall, we present laetanine 9 and genkwanin 10 for MMP-9 and demonstrate that the novel FMO-based workflow with a quantum mechanical approach is promising to discover potent natural product inhibitors of MMP-9, satisfying the pharmacophore model and good binding affinity. genkwanin 36-45 matrix metallopeptidase 9 Homo sapiens 206-211