Letters in Drug Design & Discovery - Volume 15, Issue 11, 2018

Background: Oxime K033 was considered a promising drug candidate originally developed for the treatment of nerve agent poisoning. This study summarizes its potency to reactivate in vitro acetylcholinesterase inhibited by several nerve agents (tabun, sarin, cyclosarin, soman, VX, Russian VX), mimic agent (DFP) and organophosphorus pesticide (chlorpyrifos) to show whether this compound might be used in cases of nerve Read More

Background: Considering the limitations of current cholinesterase inhibitor drugs for the treatment of Alzheimer's disease, there is ongoing research activities to find out alternative drug candidates. The aryl-spacer-N-benzyl pharmacophore model has been effectively utilized to design various types of cholinesterase inhibitor molecules, including donepezil. Within this research study, we have questioned the significance Read More

Background: Ferrocene is a potential pharmacophore for drug design and drug discovery. Methods: Based on our previous good achievements (Med. Chem. commun., 2014,7,968-972), nineteen novel structures of 1,1'-ferrocene diformates bearing isoxazole moiety (3a-3s) were firstly synthesized in the current work and characterized by 1H NMR, 13C NMR, ESI-MS. Then, their cytotoxicity to A549, HCT116 and MCF-7 cel Read More

Background: Sinapic Acid (SA), as a natural phenolic compound, is widely spread in plants. Objectives: In this study, the radioprotective effect of SA was investigated against genotoxicity and apoptosis induced by ionizing radiation in human lymphocytes. Methods: In this experimental study, peripheral blood samples were collected from human volunteers and incubated with SA at different concentrations (50-1000 μM) for thr Read More

Background: A series of 2-substituted benzoxazoles and their possible metabolites, N-(2-hydroxy-4(or 5)-nitrophenyl)benzamides and phenylacetamides, which were previously synthesized by our group, were investigated for their inhibitory activities on both eukaryotic DNA topoisomerase I (Topo I) and II (Topo II). Methods: DNA topoisomerase I and II inhibitory activity of compounds were determined by relax Read More

Background: Averrhoa bilimbi has been used in the traditional medicine for treatment of hypertension, diabetes and as an antihypercholesterolemic. This study investigated the inotropic and chronotropic effects of Averrhoa bilimbi aqueous extract (AqE) on the guinea pig atrium. Methods: Left and right atria isolated from guinea pig were used to evaluate the atrial contractility and atrial rate, respective Read More

Background: Tyrosinase is a copper-containing enzyme that involves in melanine biosynthesis and fruits enzymatic browning pathways. Chemical inhibitors of tyrosinase could have potential applications in cosmetics, medicine and food industry. In this study, we evaluated 6-Methoxy-3,4-dihydronaphthalenone chalcone-like derivatives as potent tyrosinase inhibitors and radical scavengers. Methods: A series of ten 2-arylid Read More

Background: Bioavailability is a major area of concern in drug development. It has been shown that poor oral bioavailability of molecules reduces the chances of converting a suitable lead into drug candidate. Objective: As part of our efforts to increase the likeliness of anticancer natural products reaching drug development phase, a study was designed which judges the oral absorption of these chemical molecules. Metho Read More

Introduction: Dihydropyrimidine scaffold represent an important class of pharmacologically active nitrogen containing heterocyclic compounds. A wide range of molecules with dihydropyrimidine moieties have important role in medicinal chemistry on account of their potential biological activities. Methodology: A series of 3,4-dihydropyrimidine-2(1H)-thione derivatives have been designed and synthesized in a concise way Read More

Background: In the current study, a series of novel thiophene chalcones (3a-g) and pyrazole containing thiophene derivatives (6a-g) were designed as potential anti-fungal agents and evaluated in silico for drug-likeness behavior. Methods: The titled compounds were synthesized using Claisen–Schmidt reaction of 3-methyl-2- thiophenecarboxaldehyde (1) with several acetophenone derivatives (2a-g) followed by cyclization react Read More

Background: Trk A kinase plays a crucial role in the cell cycle events including survival, proliferation and differentiation in normal and neoplastic neuronal cells. Thus, it has been proved as an important target for cancer pharmaceutical. Methods: A series of twenty-three Trk A inhibitors containing 7-azaindole scaffold were studied based on a combination of two computational techniques, the Three-Dimensional Quantitat Read More

Background: 2-aminoselenazoles became an important core in medicinal chemistry after the discovery of Ebselen and Ethaselen. Therefore, many researchers have reported the synthesis of small selenazole intermediates via Hantzsch cyclization using a wide array of methodologies and catalysts. Methods: In this work, we investigated the formation of 2-aminoselenazoles on various organic solvents and in water, under ca Read More

Background: Oxidative stress and inflammation are important processes involved in cardiovascular disease. Antioxidant agents, like drugs or natural products from plants or plant-based food, represent a promising approach to treat these pathologies. Methods: In light of this, a gemfibrozil-stilbene hybrid (GEM-STIL) was synthesized as a strategy to combine the well-known antioxidant activity of stilbenes with the Read More