Identification of Novel Cannabinoid CB2 Receptor Agonists from Botanical Compounds and Preliminary Evaluation of Their Anti-Osteoporotic Effects
Hu, Cheng, Zhou, Zhang, Wang, Shen, Lian, Ma, Qin, Si-Jing Hu
(c) CB2 protein expression in HEK293 with or without transfected CB2R, using GAPDH as loading control. (c) CB2 protein expression in HEK293 with or without transfected CB2R, using GAPDH as loading control. After 48-h treatment of BMSCs with HU308 and screened compounds, cell viability was detected by CCK8. After 48-h treatment of BMSCs with HU308 and screened compounds, cell viability was detected by CCK8. of Hydrogen Bonds Hydrogen Bond Interactions π-π Interactions 1 HU308 −11.604 TYR25, PHE87, SER90, PHE91, PHE94, HIS95, PHE106, ILE110, VAL113, THR114, PHE117, LEU182, PHE183, PRO184, TRP194, TRP258, VAL261, LEU262, MET265, PHE281, ALA282, SER285, CYS288 1 LEU182 PHE87, PHE183 2 Dihydromethysticin-1 −8.053 PHE87, PHE91, HIS95, ILE110, VAL113, THR114, PHE117, PHE183, TRP194, TRP258, VAL261, LEU262, MET265, PHE281, SER285, CYS288 0 - PHE117 3 Desmethoxyyangonin −7.985 ILE110, VAL113, THR114, PHE117, PHE183, ILE186, TYR190, LEU191, TRP194, LEU195, TRP258, VAL261, LEU262, MET265, CYS288 0 - PHE117, PHE183, TRP194 4 Flavokawain A −8.508 TYR25, ILE27, PHE87, PHE91, PHE94, HIS95, PHE106, ILE110, VAL113, PHE117, LEU182, PHE183, PRO184, TRP194, TRP258, VAL261, MET265, LYS278, PHE281, ALA282, SER285, CYS288 1 SER285 HIS95 5 Echinatin −8.926 TYR25, ILE27, PHE87, PHE91, HIS95, ILE110, VAL113, THR114, PHE117, LEU182, PHE183, PRO184, TRP194, VAL261, LYS278, PHE281, ALA282, SER285, CYS288 2 THR114, SER285 HIS95, PHE183 6 Mangiferin −13.968 TYR25, PHE87, SER90, PHE91, PHE94, HIS95, PHE106, ILE110, VAL113, THR114, PHE117, THR118, LEU182, PHE183, PRO184, TRP194, TRP258, VAL261, PHE281, ALA282, SER285, CYS288 3 SER90, LEU182, SER285 PHE87, PHE183 7 11-Keto-beta-boswellic acid −6.477 TYR25, PHE87, SER90, PHE91, PHE94, HIS95, PHE106, ILE110, VAL113, THR114, PHE117, LEU182, PHE183, PRO184, TRP194, VAL261, LEU262, MET265, PHE281, SER285, CYS288 1 SER285 - 8 Flavokawain C −7.769 TYR25, ILE27, PHE87, SER90, PHE91, PHE94, HIS95, PHE106, LYS109, ILE110, VAL113, THR114, PHE117, LEU182, PHE183, TRP194, VAL261, MET265, LYS278, PHE281, ALA282, SER285 1 LYS278 PHE94, HIE95 9 Orientin −14.469 TYR25, ILE27, PHE87, SER90, PHE91, PHE94, HIS95, PHE106, LYS109, ILE110, VAL113, THR114, PHE117, LEU182, PHE183, TRP194, VAL261, MET265, LYS278, PHE281, ALA282, SER285 3 TYR25, PHE95, TPR114 PHE94, PHE183 10 Asperuloside −12.473 PHE87, SER90, PHE91, PHE94, HIS95, PHE106, ILE110, VAL113, THR114, PHE117, LEU182, PHE183, PRO184, ILE186, TYR190, LEU191, TRP194, VAL261, MET265, PHE281, SER285, CYS288 2 SER90, LEU182 - Table 2.
Tags:
- Cannabinoid receptor type 2
- Ligand (biochemistry)
- Docking (molecular)
- Bone
- Osteoclast
- Protein
- Osteoblast
- Coordination complex
- Cyclic adenosine monophosphate
- Osteoporosis
- Protein structure
- Pi-Stacking (chemistry)
- Cannabinoid receptor
- Green fluorescent protein
- Bone resorption
- Biotechnology
- Cell biology
- Chemistry
- Biology
- Life sciences
- Molecular biology
- Biochemistry