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7-MEOTA-donepezil like compounds as cholinesterase inhibitors: Synthesis, pharmacological evaluation, molecular modeling and QSAR studies.
Overall, 7-MEOTA-donepezil like derivatives can be considered as interesting candidates for Alzheimer's disease treatment. Expand
Parallel Flexible Molecular Docking in Computational Chemistry on High Performance Computing Clusters
This article designs a high performance computing support for flexible molecular docking (FMD) which can be beneficially utilized in structure-based virtual screening (SBVS) and compares with other HPC techniques utilized for novel lead structures discovery in medicinal chemistry. Expand
Tacrine-Trolox Hybrids: A Novel Class of Centrally Active, Nonhepatotoxic Multi-Target-Directed Ligands Exerting Anticholinesterase and Antioxidant Activities with Low In Vivo Toxicity.
Tacrine-trolox hybrids exhibited low in vivo toxicity after im administration in rats and potential to penetrate across blood-brain barrier and derivative 7u as the lead structure worthy of further investigation. Expand
Multitarget Tacrine Hybrids with Neuroprotective Properties to Confront Alzheimer's Disease.
Based on the numerous biological systems involved in AD progression, this review covers THA-incorporated hybrids possessing a neuroprotective profile and focuses on THA hybrids capable of scavenging reactive oxygen species (ROS), and derivatives which reduce the formation of Aβ-plaques. Expand
Oximes: Inhibitors of Human Recombinant Acetylcholinesterase. A Structure-Activity Relationship (SAR) Study
The goal of the present study is to determine how oxime structure influences the inhibition of human recombinant AChE (hrAChE), so 24 structurally different oximes were tested and the results compared to the previous eel A cholinesterase (EeA chE) experiments. Expand
Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease.
Based on the initial promising biochemical data and a safer in vivo toxicity compared to tacrine, S-K1035 was administered to scopolamine-treated rats being able to dose-dependently revert amnesia and to exert a moderate inhibition potency against neuronal nitric oxide synthase. Expand
Profiling donepezil template into multipotent hybrids with antioxidant properties
This review article made comprehensive literature survey emphasising on donepezil template which was structurally converted into plethora of MTLDs preserving anti-cholinesterase effect and escalating the anti-oxidant potential, which was reported as a crucial role in the pathogenesis of the Alzheimer’s disease. Expand
QSAR analysis of salicylamide isosteres with the use of quantum chemical molecular descriptors.
Quantitative relationships between the molecular structure and the biological activity of 49 isosteric salicylamide derivatives as potential antituberculotics with a new mechanism of action against three Mycobacterial strains were investigated, resulting in acceptable and robust QSAR models. Expand
Progress in acetylcholinesterase reactivators and in the treatment of organophosphorus intoxication: a patent review (2006–2016)
This review covers the development of AChE reactivators in order to introduce a new efficient drug that will overcome significant failures of common antidotes. Expand
Synthesis and Disinfection Effect of the Pyridine-4-aldoxime Based Salts
A set of new quaternary ammonium compounds based on pyridine-4-aldoxime was synthesized, characterized with analytical data (NMR, EA, HPLC, MS) and tested for in vitro antimicrobial activityExpand