Electron transport through a (terpyridine)ruthenium metallo-surfactant containing a redox-active aminocatechol derivative.

Aiming to develop a new class of metallosurfactants with unidirectional electron transfer properties, a (terpyridine) ruthenium complex containing a semiquinone derivative L2, namely [RuIII(Lterpy)(L2)Cl]PF6 (1), was synthesized and structurally characterized as a solid and in solution. The electronic and redox behaviour of 1 was studied experimentally as well as by means of DFT methods, and is indicative of significant orbital mixing and overlap between metal and ligands. The complex forms stable Pockels-Langmuir films at the air-water interface and allows for the formation of thin films onto gold electrodes to prepare nanoscale Au|LB 1|Au junctions for current-voltage (I/V) analysis. Complex 1 shows asymmetric electron transfer with a maximum rectification ratio of 32 based on tunnelling through MOs of the aminocatechol derivative.

Anti-dengue infectivity evaluation of bioflavonoid from Azadirachta indica by dengue virus serine protease inhibition.

Dengue virus (DENV) serine protease enzyme, i.e. NS2B-NS3pro (non-structural protein 2B-non-structural protein 3) has been approved as prime drug target for the drug discovery against dengue infection, because of its essential role in viral replication. This study demonstrates the potential of bioflavonoids from Azadirachta indica against dengue infection using computational and experimental approach. Initially, 49 bioflavonoids reported in Azadirachta indica were collected and virtually screened on the catalytic triad of DENV protease, results in the identification of kaempferol-3-O-rutinoside (-9.555 kcal/mol), rutin (-9.324 kcal/mol), hyperoside (-7.879 kcal/mol), and epicatechin (-7.622 kcal/mol) as potent viral protease inhibitors against reference compound quercetin (-6.94 kcal/mol). Subsequently, these docked complexes were analyzed for the stability via molecular dynamics simulations and free binding energy calculations, suggested the considerable stability of selected bioflavonoids with viral protease. Additionally, density functional theory and ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) analysis indicated the least chemical reactivity and considerable medicinal properties, respectively for the screened bioflavonoids by comparison to quercetin. Accordingly, kaempferol 3-O-ß-rutinoside and epicatechin were evaluated at various concentrations for cell viability (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide assay) and in vitro antiviral activity (focus forming unit assay) against DENV-2 strain. The antiviral assay showed dose dependent inhibition of DENV-2 infectivity by the selected compounds while maximum 77.7% and 66.2% viral inhibition were recorded for 100 µM kaempferol 3-O-ß-rutinoside and 1000 µM epicatechin, respectively without significant cell toxicity. These results suggested the potential of bioflavonoids from Azadirachta indica in the development of effective drug against dengue infection.Communicated by Ramaswamy H. Sarma.

Genomics, proteomics and evolution of dengue virus.

The genome of a pathogenic organism possesses a specific order of nucleotides that contains not only information about the synthesis and expression of proteomes, which are required for its growth and survival, but also about its evolution. Inhibition of any particular protein, which is required for the survival of that pathogenic organism, can be used as a potential therapeutic target for the development of effective drugs to treat its infections. In this review, the genomics, proteomics and evolution of dengue virus have been discussed, which will be helpful in better understanding of its origin, growth, survival and evolution, and may contribute toward development of new efficient anti-dengue drugs.

Probability based approach for predicting the course of disease in diabetic retinopathy patients.

The number of Diabetes patients has risen in both the developing and the developed nations. It is associated with lot complications retinopathy, nephropathy, neuropathy etc. Diabetic retinopathy is one of the leading causes of preventable blindness. Diabetic patients have to be monitored at regular intervals to detect any signs of retinopathy and deterioration of vision and timely intervention. This requires lot of time and cost both on the part of the patient and the specialist. Therefore there is a need to differentiate the ' high risk ' patients from the ' low risk ' patients, so that the high risk ones can be managed more rigorously while the low risk patients can be referred for less frequent screenings and checkups. Data of around 100 patients with Grade 1 retinopathy was collected. Their physiological parameters with their DR grading after 3 years was recorded. Physiological parameters which were having a higher impact on the course of Retinopathy were taken (e.g. Mild blood urea, Hypertension and Smoking in this case). Transition probabilities of going from one stage to other were calculated. Probability of having a single physiological parameter in a given stage of DR at a given point of time was calculated. Probability of various combinations of these physiological parameters in a given stage of disease was calculated. Then by knowing the present stage of that disease future stage (3 years later in this case) of the disease can be predicted. Based on these predictions, the ' high risk ' patients are differentiated from the ' low risk ' patients and are accordingly referred for screenings and interventions.

A perspective on healthcare related web interfaces.

Consumer retrieval of health information through the internet has become prevalent. In the past, physicians provided filtered health information to the consumer. However, the availability of health related information including disease specific research trends over the World Wide Web is useful for clinicians and consumers. The use of internet based health care information by clinicians and consumers have increased in recent years. Nonetheless, consumers often have difficulties in evaluating such data in a comprehensive manner. Here, we describe the current status of health care related data over the World Wide Web.