{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["11(8)"],"submitter":["Tian YS"],"pubmed_abstract":["High-risk human papillomaviruses (HPVs) are known to cause cervical cancer. Vaccines are now available to prevent HPV infection. However, a clinically approved drug is yet not available to treat HPV. The PDZ(PSD-95/Dlg/ZO-1)-binding motif (PBM) in the E6 protein of HPVs targets the PDZ domain (known to be associated with oncogenesis) for degradation. Therefore, it is of interest to study PBM-PDZ interaction towards its possible inhibition with a potential inhibitor. Thus, four pharmocophore models of PBM-PDZ complex were developed. In order to obtain potent small molecules for its inhibition, a commercial compound database was screened using both these pharmacophore models and molecule docking method. These efforts identified four potential compounds (1-4) towards its inhibition with the d"],"journal":["Bioinformation"],"pagination":["401-6"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC4574123"],"repository":["biostudies-literature"],"pubmed_title":["Pharmacophore Modeling and Molecular Docking Studies of potential inhibitors to E6 PBM-PDZ from Human Papilloma Virus (HPV)."],"pmcid":["PMC4574123"],"pubmed_authors":["Takagi T","Okamoto K","Kawashita N","Tian YS","Arai Y"],"additional_accession":[]},"is_claimable":false,"name":"Pharmacophore Modeling and Molecular Docking Studies of potential inhibitors to E6 PBM-PDZ from Human Papilloma Virus (HPV).","description":"High-risk human papillomaviruses (HPVs) are known to cause cervical cancer. Vaccines are now available to prevent HPV infection. However, a clinically approved drug is yet not available to treat HPV. The PDZ(PSD-95/Dlg/ZO-1)-binding motif (PBM) in the E6 protein of HPVs targets the PDZ domain (known to be associated with oncogenesis) for degradation. Therefore, it is of interest to study PBM-PDZ interaction towards its possible inhibition with a potential inhibitor. Thus, four pharmocophore models of PBM-PDZ complex were developed. In order to obtain potent small molecules for its inhibition, a commercial compound database was screened using both these pharmacophore models and molecule docking method. These efforts identified four potential compounds (1-4) towards its inhibition with the d","dates":{"release":"2015-01-01T00:00:00Z","publication":"2015","modification":"2026-05-03T06:53:53.8Z","creation":"2019-03-27T01:58:36Z"},"accession":"S-EPMC4574123","cross_references":{"pubmed":["26420921"],"doi":["10.6026/97320630011401"]}}