Computational ADME analysis and Antioxidant potential of 5-methoxy-2-methyl-1H-indol-3-yl)-N'- (substituted benzylidene) acetohydrazide derivatives for neuroprotection.
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Abstract
ABSTRACT:
Oxidative stress is a constant threat to human health because it causes an excessive production of free radicals, most notably reactive oxygen species, which are toxic to DNA, RNA, and proteins. The accumulation of free radicals in humans has been linked to cancer, inflammation, atherosclerosis, Alzheimer's disease, Parkinson's disease, and the ageing process. Antioxidants have been shown to reduce oxidative damage and lower the chance of developing chronic diseases, earning them the term "free radical scavengers" of the human body. It is possible to use indoles, which are heterocyclic compounds, in treatments since they are antioxidants. In the last few years, new approaches have been developed using indole derivatives to counteract the damage produced by free radical generation.
The goal of this investigation was to use the indole scaffold to create novel antioxidant candidates. In this investigation, A new series of 5-methoxy-2-methyl-1H-indol-3-yl)-N'- (substituted benzylidene) acetohydrazide derivatives were produced in good yields in an effective manner. The elemental analysis and spectrum data completely characterised all of the substances. Using a computational method, we predicted the binding modalities and pharmacokinetic properties of these analogues. The biological activities of these substances were predicted using the ADMET prediction programme Molinspiration before any experimental lab activity could begin. The DPPH technique then measures antioxidant activity. In addition, the DPPH assay confirmed that all of the samples had antioxidant properties that were superior to those of ascorbic acid. The highest levels of antioxidant activity were seen for a compound that had a para dimethylaminophenyl substitution. An in silico ADMET, Swiss ADME, oxygen scavenging potential assisted to derive effective neuroprotective for the present study.
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