Publications by authors named "J R Armas Padron"

Glycosylation patterns represent an important signature of cancer cells that can be decoded by glycan-binding proteins, i.e., lectins.

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The 3-component Passerini reaction (3CPR), discovered little more than 100 years ago, has been demonstrated in the last few decades to be a valuable tool for accessing structural diversity and complexity, essential topics to consider in drug discovery programs. Focusing on accessing a fine-tuned family of α-acyloxyamide-oxindole hybrids, we underline herein our latest insights regarding the use of this mild reaction approach to obtain promising anticancer agents. Cheap and commercially available isatin was used as starting material.

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This research embarked on the study of a new binaphthyl phosphate scaffold of copper. There are two independent neutral complexes in the asymmetric unit: Cu1/Cu2 (I) and Cu3/Cu4 (II) from a similar structure to , with one arm formed by an intra-hydrogen bond between the water molecule bonded to the copper and the phosphine oxide (PO) moieties. Moreover, in the first complex two water and one ketone molecule complete the coordination sphere of the two-copper metals, instead, in the second one, one water and two ketone molecules.

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Article Synopsis
  • Carbonic anhydrases (CAs) IX and XII are important in the development and spread of various solid tumors, making them targets for cancer treatment.
  • Researchers synthesized new coumarin derivatives mixed with arylsulfonamide or biotin to create effective selective inhibitors for different human carbonic anhydrase isoforms.
  • One compound, Coumarin-sulfonamide derived 27, was particularly effective against hCA XII, while compound 32 was the most potent for hCA IX, showing better selectivity and efficiency compared to existing drugs like acetazolamide.
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  • A new scoring method has been developed to assess ligand performance on the same protein by considering their dynamic flexibility, binding interactions, and effects on the protein itself, demonstrating greater accuracy than traditional energy calculations.
  • During virtual screening of FDA-approved drugs for binding to β-tubulin, Naloxegol was identified as a promising alternative to the commercial drug Paclitaxel (PTX) for targeting body cancers, with enhanced properties.
  • The study utilized molecular dynamics (MD) simulations to analyze Naloxegol derivatives, revealing that variations in their chemical structure correlate with better performance as microtubule disassembly inhibitors compared to PTX.
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