Letters in Drug Design & Discovery - Volume 14, Issue 10, 2017

Objective: 3D-QSAR study was carried out by using Topomer comparative molecular field analysis method. It was applied for three peptides which are bitter tasting threshold of dipeptide, oxytocin and bradykinin-potentiating peptides. Methods: The structures of all peptide drugs were built by using the Build Protein function and all molecular modeling calculations were performed in the SYBYL2.0. Each peptide was fragmented Read More

Background: Phosphodiesterases 9A (PDE9A) is one of the prominent regulating enzymes of the signal transduction pathway having highest catalytic affinity for second messenger, cGMP. When the cGMP level is lowered, an uncontrolled expression of PDE9A may lead to various neurodegenerative diseases. To regulate the catalytic activity of PDE9A, potent inhibitors are needed. Objective: The primary objective o Read More

Background: Due to the importance of 1,3,4-thiadiazoles and phthalimides in anticancer agents, a novel series of 1,3,4-thiadiazole-phthalimide system have been synthesized and evaluated in vitro against HT-29 and MCF-7 human cancer cell lines. Methods: The target compounds were prepared through four-step reaction and their cytotoxicities were evaluated by MTT assay. Results: The results showed that 4-nitrobenzo Read More

Introduction: Azo-compounds, with the general formula R-N=N-R' (where R and R' can be either aryl or alkyl groups), constitute an important class of organic dyes. Over the past decades, these compounds have attained increasing attention of the scientific community because of their immense biological as well as industrial applications. Methodology: A series of new azo-compounds was prepared starting from 4-aminophenol an Read More

Background: Research on the synthesis of anticonvulsants is still in progress as they produce adverse effects with lesser activity as well as the patients become resistant to drug therapy. 1,2,4-triazole scaffold is a resource for the synthesis of anticonvulsant agents having better pharmacological action. Virtual Screening plays an important role to achieve binding affinity, receptor and library pre-processing, dockin Read More

Background: Tankyrases, members of PARP protein superfamily, are involved in many cellular processes and play key roles in Wnt signaling and in several diseases including cancers. During the past few years, there has been an increased interest in the development of selective smallmolecular tankyrase inhibitors. Objective: The objective was to construct a novel selective pharmacophore model for tankyrase inhibitors. Methods Read More

Background: Acetic acid alone when employed as a solvent under ultrasound irradiation has been found to be effective for the three-component reaction involving ethyl-5- amino-1H-pyrazole-4-carboxylate, aromatic aldehydes and terminal alkynes in the presence of aerial oxygen. Methods: The catalyst / promoter / ligand free method afforded a range of pyrazolo[1,5-a] pyrimidines as potential and new cytotoxic agents. Res Read More

Background: The ultrasound assisted methodology has been explored first time for the quicker synthesis of 6H-pyrido[1,2-a]quinazolin-6-imine derivatives via the reaction of 2-aminopyridines and 2-fluorobenzontriles under mild conditions. Methods: The methodology is free from the use of any transition metal catalyst and afforded the desired products in good yields. Some of the synthesized compounds were evaluated for t Read More

Background: The molecular hybridization concept was used to develop novel coupled derivatives with the hope of synergistic cytotoxic activity. A novel class of 12 derivatives, containing coupled 7-oxycoumarin, piperazine, and heteryl/ aryl propenone moieties namely, 4-methyl-7- (3-(4-methylpiperazin-1-yl)-3-oxo-1-substituted phenyl/heteryl prop-1-en-2-yloxy)-2h-chromen-2- ones were synthesized by an ultrasound-assi Read More

Background: The 2-alkynyl pyrazolo[1,5-a]pyrimidine derivatives have been explored as new and potential anti-proliferative agents. Methods: Ultrasound assisted synthesis of these compounds was carried out by using a multi-step method involving the H3PO3 mediated construction of pyrazolo[1,5-a]pyrimidine ring possessing a bromo group at C-2 position followed by Pd/C-Cu catalyzed alkynylation methodology as the Read More

Background: Argireline is an innovative neuropeptide widely applied topically on the skin. Its structure resembles the N-terminal end of the synaptic protein SNAP-25, and so inhibits the formation of SNARE complex and reduces the release of the neurotransmitter acetylcholine. These properties are used in cosmetic formulations to reduce facial muscle contractions, thus preventing the formation of expressive wrinkles, mainly on Read More

Objective: To explore the function of p42.3 in gastric carcinoma. Methods: We summarized the intricate regulation of p42.3 in gastric carcinoma from several aspects, namely, the structure features, the expression level, its regulation on cell cycle and EMT, its relationship with miR-29a as well as the optimal feedback circuit involved in. Results: We addressed the complex functions of p42.3 in regulating EMT, migration, invasion, Read More