2D/3D-QSAR Model Development Based on a Quinoline Pharmacophoric Core for the Inhibition of : An In Silico Approach with Experimental Validation.

Malaria is an infectious disease caused by spp. parasites, with widespread drug resistance to most antimalarial drugs. We report the development of two 3D-QSAR models based on comparative molecular field analysis (CoMFA), comparative molecular similarity index analysis (CoMSIA), and a 2D-QSAR model, using a database of 349 compounds with activity against the 3D7 strain.

Optimization of the Diagnostic Capacity of Traditional Biomarkers in Muscle Damage and Its Use in the Diagnosis of Dermatomyositis and Polymyositis.

Background-aim: Creatine kinase (CK) and aldolase are markers traditionally used in the study of muscle damage (MD). As CK determination is more specific to muscle damage, the demand for both determinations in routine laboratory tests would entail an extra cost.

Methods: Retrospective observational study conducted between 2019-2020.

Determinants of Suboptimal Gestational Weight Gain among Antenatal Women Residing in the Highest Gross Domestic Product (GDP) Region of Malaysia.

Suboptimal gestational weight gain has been associated with adverse perinatal and maternal outcomes, including increased risk of non-communicable diseases later in life. This study aimed to determine the proportion and determinants of suboptimal GWG. A cross-sectional study was conducted among 475 pregnant women in Selangor between January and March 2020.

3-aryl-indolinones derivatives as antiplasmodial agents: synthesis, biological activity and computational analysis.

Malaria is an infectious illness, affecting vulnerable populations in Third World countries. Inspired by natural products, indole alkaloids have been used as a nucleus to design new antimalarial drugs. So, eighteen oxindole derivatives, analogues were obtained with moderate to excellent yields.

Albertans for Health Research Network: Form, Fit, and Function.

The patient engagement (PE) platform staff of Alberta Strategy for Patient Oriented Research Support for People and Patient Oriented Research Trials Unit developed a patient-powered PE network called Albertans for Health Research Network (AB4HR); an enhanced tool to better connect patient partners and researchers online. AB4HR was developed in response to an identified need-a user-friendly online forum for both patient partners and researchers to access, so that they can better work together, as partners, in health research. We codesigned AB4HR and identified ways to improve the form, fit, and function of an existing registry through discussion groups with patient partners and researchers.

Hit-to-lead optimization of novel 2-alkylaminomethylquinoline derivatives as anti-chagas agents.

Chagas disease is one of the main neglected diseases in the world, being endemic in 21 countries of Latin America. This disease has become a global health problem due to migration of infected people non-endemic countries. Even though this disease affects millions of people, only two drugs are approved for its treatment, benznidazole and nifurtimox, and both have several limitations.

Microwave-assisted Synthesis of 2-Styrylquinoline-4-carboxylic Acids as Antitubercular Agents.

Background: Many 2-substituted quinolines and especially 2-arylvinyl derivatives isolated from plants or prepared by synthesis have been designed from ethnopharmacological studies.

Objective: In order to explore new aspects of the structure-antituberculosis activity relationship, a series of styrylquinoline derivatives was prepared.

Method: A series of styrylquinoline derivatives was prepared from quinaldic acid and a variety of arylbenzaldehydes under eco-friendly conditions via Knoevenagel reaction and trifluoroacetic acid (TFA) as catalyst.

Taxanes-induced cutaneous eruption: another histopathologic mimicker of malignancy.

Background: Paclitaxel and docetaxel are antineoplastic drugs that bind the microtubules, producing the arrest of mitoses, which may be seen histopathologically. These histopathologic changes may simulate an intraepidermal keratinocytic malignant neoplasm, and an accurate diagnosis may be only established by clinicopathological correlation.

Objectives: We report six cases of cutaneous eruptions by taxanes in which a striking cytotoxic effect was evident histopathologically.

Synthesis and evaluation of 2-(1H-indol-3-yl)-4-phenylquinolines as inhibitors of cholesterol esterase.

A series of 2-(substituted) phenyl and 2-indolyl quinoline derivatives (10a-l) was synthesized by an efficient microwave-assisted, trifluoroacetic acid-catalyzed, solvent-free method. Evaluation of the inhibitory activity led to the identification of two quinoline inhibitors of cholesterol esterase. 2-(1H-Indol-3-yl)-6-nitro-4-phenylquinoline (10l; IC50=1.

Design, synthesis and evaluation of acridine and fused-quinoline derivatives as potential anti-tuberculosis agents.

The synthesis of twelve acridine and polycyclic acridine derivatives prepared via the Friedländer reaction is described. The one-pot reactions of 2-amino-5-chloro or 5-nitro-benzophenones and a variety of cyclanones and indanones were carried out in a MW oven under TFA catalysis in good yields. The products were designed according natural antituberculosis products and were evaluated for growth inhibitory activity towards Mycobacterium tuberculosis H37Rv (Mtb) through the National Institute of Allergy and Infectious Diseases (NIAID, USA).

The use of propofol to prevent fetal deceleration during electroconvulsive therapy treatment.

Electroconvulsive therapy has been demonstrated to be relatively safe during pregnancy for both the mother and the fetus. One risk to the fetus is cardiac deceleration during the grand mal seizure. We present a case of a young woman in her second trimester of pregnancy with bipolar depression.

Synthesis, trypanocidal activity and molecular modeling studies of 2-alkylaminomethylquinoline derivatives.

Research and development of new drugs effective in the treatment of Trypanosoma cruzi infections are a real need for the 16 million people infected in the Americas. In a previous work, a quinoline derivative substituted by a 2-piperidylmethyl moiety showed to be active against Chagas disease and was considered a lead compound for further optimization. A series of ten analogous derivatives were tested against epimastigotes as a first approach.

Monoarylhydrazones of alpha-lapachone: synthesis, chemical properties and antineoplastic activity.

The biological activities of the naphthoquinones lapachol, extracted from trees of the genus Tabebuia and its cyclization products alpha and beta-lapachone, have been intensively studied. Giving continuity to the research about new derivatives obtained from the reaction of these naphthoquinones with amino-containing reagents, a series of arylhydrazones of alpha-lapachone was synthesized and their antineoplastic activity was evaluated. This new structure is based on the great electrophilicity of 1,4-quinoidal carbonyl groups towards reagents containing nitrogen as nucleophilic centers, such as arylhydrazines.

Bis-naphthylureas and related compounds: synthesis, chemical properties, DNA affinity and antineoplastic activity.

A series of bis-naphthalene derivatives in which these moieties are linked by a symmetric bis-urea functionalized chain or by an asymmetric amide and urea or amino and urea functionalized chain, were synthesized. The tentative synthesis of other types of related compounds did not give the products expected. The compounds were assayed as antineoplastics on human tumor cell lines at the National Cancer Institute (USA).

Diarylsemicarbazones: synthesis, antineoplastic activity and topoisomerase I inhibition assay.

A series of diarylsemicarbazones was synthesized and tested against human neoplastic cell lines. The more active members have a l-naphthyl ring at the carbamidic nitrogen, and chloro, dimethylamino or nitro group substituents at the benzylidene moiety. None of these showed affinity to DNA.

DNA interaction and electrochemical properties of bis-1-aminomethylnaphthalenes and related compounds. A correlation with their antineoplastic activity.

Bis-1-aminomethylnaphthalenes constitute a new type of molecule with antineoplastic activity. As a first approach to determine the action mechanism, the interaction degree of these compounds and some less active analogous, with calf thymus DNA, by UV spectrophotometry, and the redox performance by cyclic voltammetry was correlated with their activity on neoplastic cell lines. It suggests that the most active members interact closely with DNA but do not show any redox process at biological potentials.

Synthesis, DNA interaction and antineoplastic activity of semicarbazone derivatives.

A number of antineoplastic agents including procarbazine and bisantrene derive from hydrazine, but so far none have been developed from semicarbazide. In order to assay active minimal structures, thirteen new compounds were prepared by replacing hydrogen atoms in semicarbazone amine group by alkylamine moieties, employing an improved procedure. DNA binding was evaluated by treatment of a drug solution with DNA-cellulose complex and further measurement of remaining drug by UV spectroscopy and the affinity observed to range from medium to weak.