Letters in Drug Design & Discovery - Volume 15, Issue 12, 2018

Background: CDK2 shows a fundamental role as a controller of cell growing, which makes it as one of the goals of anticancer inhibitors. Methods: The current study participated in design (docking and binding energy), which used to select the promising proposed compounds, synthesis of novel diverse 14 pyrido[2,3-d]pyrimidine derivatives and biological studies of the prepared compounds as promising anticancer agents aiming Read More

Background: Metal organic compounds have attracted considerable attention since the advent of Salvarsan, a metal organic compound for the treatment of syphilis. Ferrocene as an effective phenyl bioisostere is becoming a viable platform for drug design by virtue of its redox properties, high lipophilicity and three-dimensional metallocene unit, which may lead to some changes in selectivity toward biological targets comp Read More

Background: Due to the increase of multidrug-resistant microorganisms, the search for biologically active molecules does not stop. In the present study, we developed the effective QSAR model which allows a quick search of new potential Staphylococcus aureus inhibitors in the series of quaternary phosphonium salts. A number of the most promising 1,3-oxazol-4-yltriphenylphosphonium derivatives with predicted activitie Read More

Background: A variety of synthetic amidrazones are endowed with antitumor activity. Examples include N1-(thien-3-yl)amidrazone-2-carboxylates that exhibit high potency against breast cancer (MCF-7) and leukemia (K562) cell lines. These results prompted us to design and examine a new set of isomeric N1-(thienyl)amidrazone. Methods: The synthesis of the targeted N1-(thien-4-yl)amidrazone-4-carboxylates 7a-n is achieved v Read More

Background: Thiamine hydrochloride is a vital nutrient for development, growth and variety of other body functions. It is also used as a co-factor for several enzymatic reactions. An early study showed that thiamine can form ionic salt with metals such as [Th]2+[MX4]2-, [Th]2+([MX3]-)2, or [Th+]2[MX4]2- (M = Zn2+ Co2+, Ni2+ when X = Cl-, Br- and Th = thiamine). Methods: In this study, thiamine hydrochloride reacts with i Read More

Background: Breast cancer is the most frequent cancer among women. Chemotherapy is necessary for treating metastatic disease and represents an important therapeutic approach, although antineoplastic drugs have high toxicity and may be limited by the development of drug resistance. These problems impose an urgent need to discover new anticancer agents and, so, arylsulfonylhydrazone analogues were designed, syn Read More

Background: Hetero atom containing compounds are well studied class of organic compounds exhibits variety of properties and applications. Design and synthesis of new heterocyclic compounds are always of great interest in synthetic and medicinal organic chemistry. Benzothiazole or 2-aminobenzothiazole scaffold based derivatives were reported to display a wide range of biological activities including anticancer, anti-tu Read More

Background: Magnetic targeting, which utilizes a magnetic field to specifically deliver therapeutic agents to the targeted regions, can greatly improve the treatment efficiency. On the other hand, glucose-modified nanoparticles have also demonstrated good brain-targeting abilities. Fusion of both might further improve the brain targeting efficiency. Objective: To prepare, characterize and evaluate glucose-modified ibuprofe Read More

Background: A series of new 6-(tert-butyl)-8-chloro-2,3-dimethyl quinoline derivatives were designed and synthesized. Results: The primarily antifungal assay results indicated that all of them exhibited excellent protective efficacy (100%) against Pyricularia oryae at 100 ppm, except compound 2m (90%). Among them, the compound 2p (6-(tert-butyl)-8-chloro-2,3-dimethylquinolin-4-yl(2-chloro-5- (trifluoromethyl)benz Read More

Background: Bromodomain-containing protein 4 (BRD4) inhibitors synthesized with trimethoxy-ring refer to a new series of small molecular inhibitors. Currently, BRD4 offers the potential for research as a cancer therapeutic target. Based on previous studies, 17 trimethoxy-ring derivatives were designed as novel BRD4 inhibitors. Methods: All these new compounds were synthesized via the amide reaction. Their s Read More

Background: Leishmaniasis is a neglected tropical disease, considered endemic in almost 98 countries worldwide, with 250 million new cases estimated annually. The usual drugs are considered toxic, expensive and frequently ineffective, justifying the search for new lead compounds. We presented here ligand-based classical QSAR study involving the leishmanicidal activity of quinoxaline derivatives and molecular descripto Read More

Introduction: Oxadiazoles having azo-functionality represent a new and an exciting class of physiologically active heterocyclic compounds. A number of molecules with these moieties have significant role in medicinal chemistry due to their diverse biological activities. Methodology: A series of 1,3,4-oxadiazole-2-thiol derivatives bearing azo-moiety have been designed and synthesized by multistep reaction sequences staring Read More