Identification and characterisation of putative drug binding sites in human ATP-binding cassette B5 (ABCB5) transporter

Binding mode analysis of ABCA7 for the prediction of novel Alzheimer's disease therapeutics

“…Thus, we conducted blind docking studies considering the entire MSDs of the ABCA7 homology model using AutoDock [129] . The MSDs as docking space were particularly chosen because they cover the suggested/outlined binding sites in other ABCA transporters [96] , [97] , [98] , which is generally supported by the structural information of other ABC transporters subfamilies [100] , [101] , [102] , [103] , [104] , [105] , [106] , [107] , [108] , [109] , [110] , [111] , [112] , [113] , [114] . Fig.…”

“…The present study aimed for the development of an ABCA7 homology model and subsequent blind docking analysis of the membrane-spanning domains (MDDs) with the pan-ABC transporter inhibitors 6 – 28 , as the multitarget biding site that is supposed to be shared amongst several subfamily members of ABC transporters was postulated to be located in the proximity of the MSDs [4] . This postulation is supported by cryo-EM (ABCB1 [102] , ABCB2 [103] , ABCB4 [104] , ABCC8 [105] , and ABCG2 [106] ) and homology model data (ABCB1 [107] , ABCB2 [108] , ABCB5 [109] , ABCC1 [110] , ABCC4 [111] , ABCC5 [100] , ABCC6 [112] , ABCC7 [113] , ABCC11 [114] , and ABCG2 [101] ) of other ABC transporters which had their primary substrate/inhibitor binding sites within the transmembrane regions.…”

Prognostic Biomarkers in Uveal Melanoma: The Status Quo, Recent Advances and Future Directions

“…ATP-binding cassette sub-family B member 5 (ABCB5) is a P-glycoprotein actively engaged in the transport of a myriad of molecules across membranes, including anti-neoplastic molecules [ 203 , 204 ]. ABCB5 is a marker of cancer stem cells and its expression was found increased in different types of neoplasias, including colon cancer [ 205 ], cutaneous melanoma [ 206 , 207 ], hepatocellular carcinoma [ 208 ] and Merkel cell carcinoma [ 209 ].…”

“…For example, in cutaneous melanoma ABCB5 was shown to promote neoplastic invasion and distant metastases through the NF-kB pathway, in a process likely mediated through MMP9, which is involved in cancer invasion and metastasis [ 207 ]. In addition, ABCB5 is involved in processes that lead to the resistance of cancer cells to anti-neoplastic agents [ 204 , 210 ]. The expression of ABCB5 was recently evaluated in 32 primary UM cases without associated metastases and 23 primary UM cases with metastases [ 184 ].…”

“…RelB [196] Member of the NF-κB pathway, which regulates a large array of genes implicated in cell survival, inflammatory disorders, response to infection, autoimmune disorders and cancer, among other processes Expression of RelB was associated with BAP1 loss and with inferior MFS SPANX-C (Sperm protein associated with the nucleus on the X chromosome protein C) [202] Belongs to a family of proteins expressed in the testis during spermatogenesis Higher expression of SPANX-C in primary UM is associated with a decreased MFS ATP-binding cassette sub-family B member 5 (ABCB5) is a P-glycoprotein actively engaged in the transport of a myriad of molecules across membranes, including antineoplastic molecules [203,204]. ABCB5 is a marker of cancer stem cells and its expression was found increased in different types of neoplasias, including colon cancer [205], cutaneous melanoma [206,207], hepatocellular carcinoma [208] and Merkel cell carcinoma [209].…”