Fig. 3: Virtual screening and experimental validation of DCSTAMP antagonists. | Experimental & Molecular Medicine

Fig. 3: Virtual screening and experimental validation of DCSTAMP antagonists.

From: A novel DCSTAMP antagonist impedes preosteoclast fusion via modulation of RAP1B–RAC1-mediated cytoskeletal remodeling

Fig. 3

a A representation of the predicted human DCSTAMP protein structure generated by AlphaFold3. b A Ramachandran plot illustrating the conformational quality of the human DCSTAMP protein structure using the SWISS-MODEL structure assessment. c The QMEAN local scores highlighting the quality of DCSTAMP protein residues in the B-factor column. d The comparative analysis with a nonredundant set of PDB structures. e An ERRAT analysis demonstrating the percentage of the protein where the calculated error value falls below the 95% rejection limit. f An illustration depicting the subcellular distribution of the DCSTAMP sequence. g The alignment of predicted human and mouse DCSTAMP proteins along with the subcellular distribution of the human DCSTAMP protein. The red frame indicates a potential active site. h The overview of the virtual screening strategy used in this investigation. i Chemical structures of the five molecules selected through the screening. j An assessment of the proliferation rate of primary mBMMs using a CCK8 assay under various concentrations of the five screened molecules; N = 5 per experimental group. k The evaluation of the inhibition rate of osteoclastogenesis indicated by Ctsk mRNA levels in primary mBMMs treated with M-CSF/RANKL under varying concentrations of the five screened molecules; N = 5 per experimental group. The data are presented as mean ± s.d. Statistical significance levels are denoted as follows: *P < 0.05, **P < 0.01, ***P < 0.001; ns, not significant.

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