Chemistry Reference
In-Depth Information
and estimation of pharmacokinetics properties. Four galanthamine derivatives
having a N-alkyl-Ph chain were designed; In addition 12 drug-like compounds
from the Ilibdiverse database were selected by virtual screening as novel,
hypothetical AChE inhibitors. The molecules have the potential to guide the
design of drugs with optimized pharmacodynamic and pharmacokinetic properties
in order to improve the treatment of Alzheimer''s disease (new
pharmacotherapeutic options) [28].
In 2011 we published a paper on toxicophoric and metabolic
in silico
evaluation
of benzimidazole and phenylbenzamide derivatives with potential application as
anticancer agents. Absorption, distribution, metabolism, excretion and toxicity
information,
in silico
predictions are an interesting alternative to evaluate
prototypes during early stages of the drug design processes. Benzimidazole and a
phenylbenzamide derivatives, previously identified as novel anticancer lead
compounds (which can prevent DNA binding to hnRNP K protein) were
evaluated
in silico
regarding their metabolic profile and toxicity potential.
Phenylbenzamide derivative seems to be a molecule with better pharmaceutical
profile, since the possible metabolites present a milder degree of chemical
structure toxic alerts. For the benzimidazole derivative one possible strategy
would be to replace the benzimidazole ring system by bioisosteres with lower
toxic potential [29].
In 2012 we published our topic chapter An overview of tropical parasitic diseases:
Causative agents, targets and drugs [30].
In 2013 we published the paper 'Comments on the paper Levinthal's question,
revisited, and answered [31].
In 2013 we published our mini-review on Phospolipase A2 inhibitors isolated
from medicinal plants: Alternative treatments against snakebites [32].
In 2013 we reported studies of targets for inhibition of proinflamatory cytokines
linked to CNS disorders in preclinical animal models, including Alzheimer's
diseases, lateral sclerosis, cerebral ischemia and neurophatic pain. We made
similarity-based and pharmacophore virtual screening of approximately 18.3
