TY - GEN
T1 - In-silico analysis of the active cavity of N-acetylgalactosamine-6-sulfate sulfatase in eight species
AU - Olarte-Avellaneda, Sergio
AU - Rodríguez-López, Alexander
AU - Alméciga-Díaz, Carlos Javier
PY - 2014
Y1 - 2014
N2 - Mucopolysaccharidosis IV A (MPS IV A) is a lysosomal storage disease produced by the deficiency of N-acetylgalactosamine-6-sulfate sulfatase (GALNS), which is involved in the catabolism of keratan sulfate and chondroitin-6-sulfate. In the present study we performed a computational analysis of active cavity of GALNS from human and other eight species, as well as their interaction with the natural ligands. The modeled enzymes showed a highly conserved structure, although differences in the sizes of the active cavity and affinity energy for the ligands were observed among the studied GALNS. The results could be associated to the molecular evolution of the catalytic cavity and differences in the complexity of the substrate produced by the species. These results could have a significant impact towards the understanding of the molecular bases of MPS IV A and the development of efficient treatment alternatives.
AB - Mucopolysaccharidosis IV A (MPS IV A) is a lysosomal storage disease produced by the deficiency of N-acetylgalactosamine-6-sulfate sulfatase (GALNS), which is involved in the catabolism of keratan sulfate and chondroitin-6-sulfate. In the present study we performed a computational analysis of active cavity of GALNS from human and other eight species, as well as their interaction with the natural ligands. The modeled enzymes showed a highly conserved structure, although differences in the sizes of the active cavity and affinity energy for the ligands were observed among the studied GALNS. The results could be associated to the molecular evolution of the catalytic cavity and differences in the complexity of the substrate produced by the species. These results could have a significant impact towards the understanding of the molecular bases of MPS IV A and the development of efficient treatment alternatives.
UR - https://www.scopus.com/pages/publications/84894731079
UR - https://www.scopus.com/inward/citedby.url?scp=84894731079&partnerID=8YFLogxK
U2 - 10.1007/978-3-319-01568-2_21
DO - 10.1007/978-3-319-01568-2_21
M3 - Conference contribution
AN - SCOPUS:84894731079
SN - 9783319015675
T3 - Advances in Intelligent Systems and Computing
SP - 141
EP - 146
BT - Advances in Computational Biology - Proceedings of the 2nd Colombian Congress on Computational Biology and Bioinformatics CCBCOL 2013
PB - Springer
T2 - 2nd Colombian Congress on Computational Biology and Bioinformatics, CCBCOL 2013
Y2 - 25 September 2013 through 27 September 2013
ER -
