For the prediction task of quantum mechanics-based properties, the 3D representations were superior to 2D. For predicting activity of small molecules against specific biological targets, no consistent trend was observed in the difference of performance using the two types of representations, irrespective of the diversity of training data sets.Redox-sensitive cysteine (RSC) thiol contributes to many biological processes. The identification of RSC plays an important role in clarifying some mechanisms of redox-sensitive factors; nonetheless, experimental investigation of RSCs is expensive and time-consuming. The computational approaches that quickly and accurately identify candidate RSCs using the sequence information are urgently needed. Herein, an improved and robust computational predictor named IRC-Fuse was developed to identify the RSC by fusing of multiple feature representations. To enhance the performance of our model, we integrated the probability scores evaluated by the random forest models implementing different encoding schemes. click here Cross-validation results exhibited that the IRC-Fuse achieved accuracy and AUC of 0.741 and 0.807, respectively. The IRC-Fuse outperformed exiting methods with improvement of 10% and 13% on accuracy and MCC, respectively, over independent test data. Comparative analysis suggested that the IRC-Fuse was more effective and promising than the existing predictors. For the convenience of experimental scientists, the IRC-Fuse online web server was implemented and publicly accessible at http//kurata14.bio.kyutech.ac.jp/IRC-Fuse/ .The parallel artificial membrane permeability assay (PAMPA), a non-cellular lab-based assay, is extensively used to measure the permeability of pharmaceutical compounds. PAMPA experiments provide a working mimic of a molecule passing through cells and PAMPA values are widely used to estimate drug absorption parameters. There is an increased interest in developing computational methods to predict PAMPA permeability values. We developed an in silico model to predict the permeability of compounds based on the PAMPA assay. We used the three-dimensional reference interaction site model (3D-RISM) theory with the Kovalenko-Hirata (KH) closure to calculate the excess chemical potentials of a large set of compounds and predicted their apparent permeability with good accuracy (mean absolute error or MAE = 0.69 units) when compared to a published experimental data set. Furthermore, our in silico PAMPA protocol performed very well in the binary prediction of 288 compounds as being permeable or impermeable (precision = 94%, accuracy = 93%). This suggests that our in silico protocol can mimic the PAMPA assay and could aid in the rapid discovery or screening of potentially therapeutic drug leads that can be delivered to a desired tissue.

To assess and compare the effectiveness of home-based pencil push-up therapy (PPT) and office-based orthoptic therapy (OBOT) in patients with convergence insufficiency.

In this randomized clinical trial, 176 symptomatic patients with convergence insufficiency, aged between 9 to 30years, were randomly assigned to receive 6weeks of home-based PPT (Group I) or OBOT (Group II) after determining refractive error, near point of convergence (NPC), convergence insufficiency symptom survey (CISS) score, near phoria and positive fusional vergences (PFV) at near. The participants of Group I underwent home-based PPT (pencil push-ups exercises15 minutes per day, daily for 6weeks) and those of Group II OBOT (convergence fusional exercises on synoptophore for 20min per day, 3days a week, for 6weeks) without home reinforcement. Patients were re-examined at 3 and 6weeks after initiation of treatment. NPC and CISS score were the primary and secondary outcome measures, respectively. Statistical analysis was performed with ts suffering from CI. CTRI registration number REF/2016/11/012,732, Date of registration 25/04/ 2016, Retrospectively Registered.

To identify morphological parameters aiding clinical differentiation of conjunctival intraepithelial neoplasia (CIN) and invasive squamous cell carcinoma (iSCC) and to demonstrate the utility of image processing software to objectively assess ocular surface squamous neoplasia (OSSN).

This retrospective case series included all biopsy-proven cases of OSSN presenting as an ocular surface nodule. Based on histopathology, lesions were classified as CIN and iSCC. Clinical image analysis utilized ‘Contour’ and ‘ImageJ’ software. The effect of predictors demography, seropositivity, lesion dimensions, keratin, pigmentation, corneal involvement, vascularity and feeder vessels on the final histopathologic grade were assessed.

A total of 108 OSSN lesions (74 CIN and 33 iSCC) were included. Mean age was 46.1 ± 17.2years in CIN and 47.2 ± 13.9years in iSCC. By univariate logistic regression analysis, significant predictors of iSCC were HIV seropositivity (p < 0.0001), maximum diameter (p = 0.003), perpendicular to maximum diameter (p = 0.003), height (p = 0.003), nodular morphology (p = 0.006) and feeder vessels (p = 0.03), whereas gelatinous morphology (p = 0.02) was predictor of CIN. By multiple logistic regression, seropositivity was the predictor of iSCC (p < 0.0001, OR 13.33 ± 8.35, 95% CI 3.90-45.53).

HIV seropositivity is an important predictor of iSCC. Large, thick, nodular lesions with feeder vessels may favor the diagnosis of iSCC, whereas gelatinous, small, flatter lesions without feeder vessels may favor CIN. In a first of its kind study, simple and objective analysis of OSSN with image processing software was demonstrated.

HIV seropositivity is an important predictor of iSCC. Large, thick, nodular lesions with feeder vessels may favor the diagnosis of iSCC, whereas gelatinous, small, flatter lesions without feeder vessels may favor CIN. In a first of its kind study, simple and objective analysis of OSSN with image processing software was demonstrated.

To compare the efficacy of transscleral cyclophotocoagulation with MicroPulse

laser (Iridex, Silicon Valley, California, USA) with 3000mW to Ahmed valve implantation in eyes with advanced stage of primary open-angle glaucoma.

In a prospective observational clinical study, 30 patients (30 eyes) with advanced open-angle glaucoma were randomized for either micropulse transscleral cyclophotocoagulation with 3000mW or Ahmed valve implantation. Fifteen eyes were treated with transscleral cyclophotocoagulation with MicroPulse

laser with 3000mW (group A) and 15 eyes with Ahmed valve implantation (group B). As inclusion criteria are included the diagnosis of advanced primary open-angle glaucoma, an intraocular pressure above 21mmHg, cup-to-disk ratio 0.9-1.0, failure to meet the target IOP with either maximal tolerated local medical therapy (2-4 antiglaucoma agents) or systemic therapy (acetazolamide). The follow-up time of the study was 12months. An absolute success was defined the achievement of IOP between 6 and 15mmHg and at least 30% reduction of the IOP from baseline under reduced or the same number of antiglaucoma agents after the surgical procedure without following glaucoma surgeries and as qualified success the achievement of IOP between 6 and 18mmHg and at least 20% reduction of the IOP from baseline regardless of the number of postoperative antiglaucoma agents.