Letters in Drug Design & Discovery - Volume 14, Issue 9, 2017

Objective: We aim to provide new insight and scientific evidence for rational design and discovery of phosphodiesterase-9A (PDE9A) inhibitors with remarkable potency and weak side effect to treat CNS diseases such as Alzheimer's disease. Methods: Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) were performed on a series of PDE9A inhibitors. Moreover, two Read More

Background: P-glycoprotein (p-gp) is one of the membrane transporter protein belong to the ATP-binding cassette which can efflux drugs to the out of the cell and cause drug resistance. Therefore, designing of new compounds with p-gp inhibitory activity can reduce drug resistance. Objective: Our aim is to introduce quantitative structure activity relationship (QSAR) models for predicting the p-gp inhibitory activity of the methyl Read More

Introduction: According to WHO, cancer is one of the most leading causes of death. Development of anticancer drugs draw considerable attention. Pyridazinones analogues were reported to possess anticancer properties. Chemical modification of pyridazinone may lead to potential anticancer agent. Objective: The objective of this article is to develop new pyridazinone deriatives and evaluate their anticancer activities. Results: T Read More

The amine (2) was prepared starting from 1-(4-fluorophenyl) piperazine via two steps, and then converted to the corresponding hydrazide (4). The reaction of hydrazide (4) with carbon disulfide generated the corresponding 1,3,4-oxadiazole (5), while the treatment of hydrazide with ethyl bromoacetate produced 4-oxo-2-thioxo-1,3-thiazolidine compound (6). The fourcomponent condensation of 4 with several aldehydes ga Read More

Background: A new series of aurone-hydrazones have been designed and synthesized in order to explore new bioactive compounds, which could have potential to be used as active drugs against Alzheimer's disease. Methods: The newly synthesized compounds were characterized by various spectroscopic techniques (IR, mass spectrometry and NMR spectroscopy) and evaluated in vitro for their inhibitory potential against ace Read More

Background: This study evaluated the biological properties of twelve 1,3-thiazolidin-4- ones by assessing antifungal and antibacterial activities. Methods: All compounds were tested against three fungi and two bacteria. The lowest concentration that produced a ≥50% inhibition of the growth of yeast in comparison with positive control was identified as MIC50. Compound 1b showed the best antifungal result against Candida al Read More

Background: Preclinical therapeutic efficacy of new anti-TB molecules is normally assessed by examining reduction in the bacterial load in different organs of mice infected with M. tuberculosis. However, since infection in the peripheral blood can mirror overall bacillary load in the body, assessment of bacteremia may reflect the treatment outcome in a more reliable manner while obviating the need to examine different Read More

Background: Virgin olive oil, the main source of lipids in a mediterranean diet, is broadly recognised to possess health-beneficial features, namely a protective role against cancer. It comprises several phenolic compounds, the major ones being tyrosol (p-hydroxyphenylethanol), hydroxytyrosol (3,4-dihydroxyphenylethanol), lignans and secoiridoids, namely oleuropein (OP) and the oleuropein aglycones 3,4-(dihydroxyphenyl) eth Read More

Background: Endothelial dysfunction is an initial step for atherosclerotic cardiovascular disease and highly prevalent in high-risk patients, such as those with hypertension or chronic kidney disease. Decreased nitric oxide production and/or impaired bioavailability are involved in endothelial dysfunction. Since blood pressure lowering significantly reduces the risk for future cardiovascular events in hypertensive patients, sever Read More

Background: L-ascorbic acid and organic amine showed a good brain targeting ability. However, there was no report on the combination of L-ascorbic acid and organic amine as a carrier for central nervous system (CNS) drug delivery. Objective: To synthesize the ibuprofen prodrug co-modified by organic amine and L-ascorbic acid, and evaluate its brain targeting ability. Methods: A dual-targeting ibuprofen prodrug 2 co Read More

Background: A series of newly synthesized compounds structurally related to Aripiprazole and Brexpiprazole, atypical antipsychotic and antidepressant used clinically for the treatment of schizophrenia, depression and bipolar disorder have been prepared and characterized by Elemental analysis, FT-IR, 1H NMR, 13C NMR, HSQC (2D NMR) and Mass spectrometry. All the compounds have been docked against, hu Read More

Background: The present review article is related to the synthesis and medicinal importance of benzoxepine and its derivatives. The study of heterocycles is an evergreen field in the branch of organic / medicinal chemistry and always attracts the attention of chemists working not only in the area of organic synthesis but also in natural products. Methodology: The derivatives of benzoxepine exhibit a wide range of pharmac Read More

Background: The continual evolution of the world is closely chaperoned by the emergence of deadly diseases, which presents itself at every turn thus determining the 3D structure of a protein drug target plays a crucial factor in the process of effective drug design and discovery. Methods: The 3D structure of a protein is an essential component that must be considered when establishing the functional domain of a protein, enabl Read More