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https://www.selleckchem.com/products/scriptaid.html Human carbonic anhydrase IX (hCA IX) is a promising target for the development of potential anticancer agents. In the current study, pharmacophore and 3D-QSAR models have been developed using SLC-0111 derivatives. The developed models have been further utilized for the virtual screening process to develop potent hCA IX inhibitors. Thirteen different models have been developed by employing various combinations of training and test set molecules. Based on this, a model, AADDR.135, comprising two H-bond acceptors, two H-bond donors and one aromatic ring, has been found as the best QSAR model. The proposed model exhibits high robustness (R2 = 0.9789), with good predictive ability (Q2 = 0.6872). An external library of drug-like compounds (∼10000 molecules) imported from the ZINC15 database has been screened over the model AADDR.135. In total, 1601 compounds were obtained as hits. Molecular docking studies and molecular dynamics simulations have been performed on the obtained hits and, based on these computations, two unique molecules have been identified as potential hCA IX inhibitors. These show higher binding energies compared to the parent molecule and its most potent analogue. Communicated by Ramaswamy H. Sarma.This paper is intended as a contribution to the study of science and religion in late modern Catholic societies. I explore the treatment of natural philosophy vis-à-vis religious (Roman Catholic) authority, the teaching of Biblical geology, and the use of natural theology in texts from Río de la Plata in the transition from late colonial to early independent times (1770-1815). After reviewing the assimilation of modern science into scholastic teaching and the articulation of reason and religious authority, the article considers the handling of the early history of the Earth in the theses of scholastic teachers and in the geological memoirs of the naturalist priest from Montevideo Dámaso Larrañaga. The core of
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