Letters in Drug Design & Discovery - Volume 14, Issue 7, 2017

Background: An efficient synthesis of hitherto unreported 4-heteroarylpyridines was described via regioselective 1,3-dipolar cycloaddition reactions of 3-(dimethylamino)-1-(pyridin-4- yl)prop-2-en-1-one (2) with nitrilimines 4a-h to afford the corresponding pyrazole derivatives 6a-h. Hydrazinolysis of 6a-c,e-f yielded the respective pyrazolopyridazines 7a-f. The enaminone 2 reacts also with 6-aminothiouracil (8) to yielded thione 9. T Read More

Introduction: Fourteen novel 8,8-dimethyl-8,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6(7H)- one derivatives were rationally designed and synthesized successfully. The synthetic procedures adopted for the target molecules were achieved by facile protocols and the yields were good to excellent (> 80%). Method: All the synthesized compounds were characterized by 1H NMR, 13C NMR, HR-MS and FT-IR spectral analysis. Read More

Background: Three new series of coumarin derivatives 4a-e, 6a-d and 7a-d were synthesized and characterized by elemental analyses and spectral data including 2D NMR. All compounds 4a-e, 6a-d and 7a-d were evaluated for their in vitro antioxidant and anticancer activity against Hep-G2 hepatic cancer and MCF-7 breast cancer cell lines. Method: Compounds 4c, 4e, 6d and 7c showed higher antioxidant activity (IC50 = 78, Read More

Background: Tuberculosis is a worldwide public health threat, according to the World Health Organization, 10.8 million people acquired the infection and 1.8 million deaths occurred due to the disease in 2015. Currently, β-lactam derivatives have emerged as antituberculosis agents. Objective: β-lactam derivatives were synthesized and tested in vitro against M. tuberculosis (pan-susceptible and resistant strains) and macrophage c Read More

Background: Histone deacetylases (HDACs) emerged as important epigenetic regulators of gene expression. Method: In order to identify potential positron emission tomography (PET) tracers for imaging HDACs, we evaluated in vitro and in cellulo activities of some compounds that were reported as potent HDAC2-selective inhibitors. We observed marked differences between reported activity values and the values obtaine Read More

Background: A 3D-QSAR study of histone deacetylase 6 (HDAC6) inhibitors including comparative molecular field analysis (CoMFA) and comparative molecular similarity index analysis (CoMSIA) was carried out. Method: Sixty-six compounds with their in vitro inhibitory activities (IC50 values) were first docked into a homology model of HDAC6 using the LibDock program and then used to generate the training and testing sets of com Read More

Background: Aflatoxin B1 (AFB1) is the most potent mycotoxin of A. parasiticus and is considered as a group I carcinogen for humans. AFB1 causes detrimental health effects on human and domestic animal. AFB1 is basically blamed for their acute toxicity that responsible for severe hepatic cancer and other metabolic disturbances. Polyketide synthase (PKS) enzyme lays the foundation of the biosynthesis of the carcinogenic Read More

Background: Mesenchymal stem cells (MSCs) are spindle shaped and multipotent stromal cells which can differentiate into a variety of cell types. Human dental pulp stem cells (hDPSCs) display self-renewal and multi-lineage differentiation potential as well as possess immunomodulatory properties and potential clinical applications. Objective: Preliminary study demonstrated that MSCs have advantage in regenerative and i Read More

Background: In spite of increasing number of chemotherapeutic drugs, achieving chemotherapy drug with minimal side effects in cancer treatment is still a major challenge. Chemotherapy has an important role in the treatment of non- Hodgkin's lymphoma cancer. Chlorambucil (CBL) is a lipophilic DNA alkylating drug having been administrated in many cancers like leukemia but its use has been limited because of chemical Read More

Background: It has been reported that statins therapy can up-regulate PSCK9 expression, which might be associated with the “6% rule” of statins. Additionally, previous data indicated that the extended-release statin could greatly reduce the exposure of statin in circulation. However, whether extended-release statin has less effect on serum PCSK9 level is completely unknown. Methods: In this randomized, controlled, open-labe Read More

Background: The glyoxalase enzyme system is a critical component in the detoxification of cellular metabolically generated alpha-ketoaldehydes, such as methylglyoxal. Inhibitors of these enzymes have been shown to have potential in the development of antimicrobial and antitumor agents. A number of glyoxalase I (Glo1) metalloenzymes have been identified and have been categorized as either Zn2+-activated or Ni2+-activat Read More

Background: Grape marc and the wine cakes are known for high content of catechins, which have been reported to have many beneficial effects for human health. The most important are the effects on cardiovascular system. Also some potential to combat the Alzheimer´s disease has been reported for catechins contained in a green or white tea. Objective: To extract polyphenols from the wine grape seeds and try to charact Read More