| abstract |
The patent relates to the discovery of new compounds as potential drug prototype candidates. In this context, we present 20 selected compounds from the zinc bank, which showed significant steric complementarity with the pbmls catalytic site, which were energetically conformable, which contributed to a high affinity and specificity of these chemical entities that had the best scoring functions. In addition, it is noteworthy that these molecules establish amino acid contacts of pbmls similar to those found in the interaction of pbmls and its natural substrate, acetyl-coa. We also refer to four alkaloids as potential drug prototype candidates, since they showed inhibitory action on the growth of paracoccidioides sp species, inhibited pbmlsr activity and fungus and pbmlsr adherence to extracellular matrix components and a549 cells. and mrc5. Thus, this new discovery aims to develop innovative and more specific antifungals, with efficient mechanism of action and limiting the toxic effects arising from their use to patients. |