In silico design, modelling and molecular mechanisms of Axl receptor tyrosine kinase inhibitors.

A kinase domain from receptor tyrosine kinases (RTKs) regulate intracellular communications to control cellular metabolic activities. Some of the malignant cells have upregulated and overexpressed RTKs which are responsible for angiogenesis in many metastatic cancers. Axl RTK is present in most of the eukaryotic cells and all metastatic cancer cells have overexpressed Axl tyrosine kinase to trigger uncontrolled growth and angiogenesis in the malignant cells.

Impact of E-Learning and Predictable Practical Learning Expectations During the Covid-19 Pandemic on Dental Graduates.

Background: Dental education is facing hitherto unheard-of difficulties as a result of the COVID-19 epidemic, which calls for quick adaption to remote learning methods. The purpose of this study was to look at how dental graduates were affected by the COVID-19 epidemic and the effects of e-learning and predictable practical learning expectations.

Methods: Data from dental college graduates were gathered using a mixed-methods approach that included questionnaires and interviews.

Taking stock of the mutations in human SARS-CoV-2 spike proteins: From early days to nearly the end of COVID-19 pandemic.

The severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), causative agent of the coronavirus disease-2019 (COVID-19) has resulted in several deaths and severe economic losses throughout the world. The spike protein in the virus binds to the human ACE-2 receptor in order to mediate virus-host interactions required for the viral transmission. Since first report of the SARS-CoV-2 sequence during December 2019 from patient infected with the virus in Wuhan, China, the virus has undergone rapid changes leading to mutations comprising substitutions, deletions and insertions in the sequence resulting in several variants of the virus that were more virulent and transmissible or less virulent but highly transmissible.

Dynamic conformational states of apo, ATP and cabozantinib bound TAM kinases to differentiate active-inactive kinetic models.

The dynamically active and inactive conformations of kinases play a crucial role in the activation of intracellular downstream signaling pathways. The all-atom molecular dynamics (MD) simulations at microsecond (µs) timescale and longer provide robust insights into the structural details of conformational alterations in kinases that contribute to their cellular metabolic activities and signaling pathways. Tyro3, Axl and Mer (TAM) receptor tyrosine kinases (RTKs) are overexpressed in several types of human cancers.

Mutations in the receptor-binding domain of human SARS CoV-2 spike protein increases its affinity to bind human ACE-2 receptor.

The severe acute respiratory syndrome virus-2 (SARS CoV-2) infection has resulted in the current global pandemic. The binding of SARS CoV-2 spike protein receptor-binding domain (RBD) to the human angiotensin converting enzyme-2 (ACE-2) receptor causes the host infection. The spike protein has undergone several mutations with reference to the initial strain isolated during December 2019 from Wuhan, China.

Proteome analysis using machine learning approaches and its applications to diseases.

With the tremendous developments in the fields of biological and medical technologies, huge amounts of data are generated in the form of genomic data, images in medical databases or as data on protein sequences, and so on. Analyzing this data through different tools sheds light on the particulars of the disease and our body's reactions to it, thus, aiding our understanding of the human health. Most useful of these tools is artificial intelligence and deep learning (DL).

Assessment of Brain Metastasis at Diagnosis in Non-Small-Cell Lung Cancer: A Prospective Observational Study From North India.

Purpose: The incidence of symptomatic brain metastasis at diagnosis in non-small-cell lung cancer (NSCLC) is 5%-10%, and up to 40% develop during the disease course. There is a paucity of data supporting the role of brain imaging at diagnosis in asymptomatic cases particularly from resource-constraint settings. Here, we present our experience of mandatory baseline brain imaging with contrast-enhanced computed tomography (CECT) scans of all patients with NSCLC.

Clinical, Functional, and Midterm Survival Analysis on Sigma Curved Plus Ultracongruent Polyethylene Insert in Primary Total Knee Arthroplasty: A Retrospective Study.

Background: Posterior-stabilized (PS) total knee arthroplasty (TKA) poses problems such as the need for intercondylar notch bone resection as well as cam and post wear and patella clunk. Owing to its heightened anterior profile, an ultracongruent polyethylene insert prevents the excessive posterior translation of tibia in the case of a deficient or scarified posterior cruciate ligament (PCL). This study aimed to determine whether an ultracongruent insert provides satisfactory clinical and functional outcomes and midterm survival benefits.

Type-specific seroprevalence of bluetongue in India during 2018 and 2019.

Background And Aim: Bluetongue (BT) is a major disease of sheep and goats and is endemic to India. It is known to cause significant economic losses to the sheep industry. The current study aimed to determine the type-specific seroprevalence of BT in sheep population of India during 2018-2019.

Enhanced metastable state models of TAM kinase binding to cabozantinib explains the dynamic nature of receptor tyrosine kinases.

Receptor tyrosine kinases (RTKs) are essential proteins in the regulation of cell signaling. Tyro3, Axl and Mer are members of TAM RTKs and are overexpressed in several cancer forms. Kinase inhibitors such as cabozantinib, foretinib are reported to inhibit TAM kinases at nanomolar concentrations.

Coupled-substituted double-layer Aurivillius niobates: structures, magnetism and solar photocatalysis.

Development of layered perovskites for sunlight-driven catalysis has gained a lot of attention in contemporary inorganic materials research. While the compositional modifications of three-dimensional perovskites are ubiquitous, they are infrequent in the case of layered perovskites particularly with niobates when the perovskite layer thickness is low. We report here the solid state synthesis of a series of lead-free double-layer Aurivillius niobates, LaBi2Nb1.

Audio-Visual Hallucinations in a Patient Poststem Cell Transplant.

Tramadol is the most common weak opioid used today. It has unique pharmacology and is notorious for numerous side effects as well as drug interactions. Patients undergoing stem cell transplant are susceptible to polypharmacy as a result of the generous use of antibiotics and symptom management drugs.

pH-Mediated Collective and Selective Solar Photocatalysis by a Series of Layered Aurivillius Perovskites.

Semiconductor photocatalysis under natural sunlight is an emergent area in contemporary materials research, which has attracted considerable attention toward the development of catalysts for environmental remediation using solar energy. A series of five-layer Aurivillius-phase perovskites, BiATiFeO (A = Ca, Sr, and Pb), are synthesized for the first time. Rietveld refinements of the powder X-ray diffraction data indicated orthorhombic structure for the Aurivillius phases with Fe largely occupying the central octahedral layer, whereas the divalent cations (Ca, Sr, and Pb) are statistically distributed over the cubo-octahedral A-sites of the perovskite.

Evaluation of Serum C-Reactive Protein Levels in Oral Premalignancies and Malignancies: A Comparative Study.

Objectives: The aim was to evaluate and compare pretreatment serum C-reactive protein (CRP) levels in patients with oral premalignancies and malignancies with that in healthy controls.

Materials And Methods: The study sample consisted of 90 patients of both genders. The subjects were divided into three groups.

Facet-Dependent Photocatalytic Behaviors of ZnS-Decorated CuO Polyhedra Arising from Tunable Interfacial Band Alignment.

ZnS particles were grown over CuO cubes, octahedra, and rhombic dodecahedra for examination of their facet-dependent photocatalytic behaviors. After ZnS growth, CuO cubes stay photocatalytically inactive. ZnS-decorated CuO octahedra show enhanced photocatalytic activity, resulting from better charge carrier separation upon photoexcitation.

Selective, C-3 Friedel-Crafts acylation to generate functionally diverse, acetylated Imidazo[1,2-]pyridine derivatives.

Carbon-carbon bonds are integral for pharmaceutical discovery and development. Frequently, C-C bond reactions utilize expensive catalyst/ligand combinations and/or are low yielding, which can increase time and expenditures in pharmaceutical development. To enhance C-C bond formation protocols, we developed a highly efficient, selective, and combinatorially applicable Friedel-Crafts acylation to acetylate the C-3 position of imidazo[1,2-]pyridines.

Rational Design, Synthesis and Biological Evaluation of Pyrimidine-4,6-diamine derivatives as Type-II inhibitors of FLT3 Selective Against c-KIT.

FMS-like Tyrosine Kinase 3 (FLT3) is a clinically validated target for acute myeloid leukemia (AML). Inhibitors targeting FLT3 have been evaluated in clinical studies and have exhibited potential to treat FLT3-driven AML. A frequent, clinical limitation is FLT3 selectivity, as concomitant inhibition of FLT3 and c-KIT is thought to cause dose-limiting myelosuppression.

Facet-Dependent Electrical, Photocatalytic, and Optical Properties of Semiconductor Crystals and Their Implications for Applications.

Recent studies on the electrical conductivity and photocatalytic activity properties of semiconductor nanocrystals such as CuO, AgO, TiO, PbS, and AgPO exposing well-defined surfaces have revealed strong facet effects. For example, the electrical conductivity of CuO crystals can vary from highly conductive to nonconductive, and they can be highly photocatalytically active or inactive depending on the exposed faces. The crystal surfaces can even tune their light absorption wavelengths.

Determination of sexual dimorphism in humans by measurements of mandible on digital panoramic radiograph.

Background: Identification of sex is the first step in forensic science obtained from skeletal remains. Mandible, being a strong bone that is difficult to damage and disintegrate, is an important tool in sex determination. The present study is aimed to assess, compare, and evaluate the mandibular measurements as seen on digital panoramic radiographs to analyze their use in sexual dimorphism assessment.

Traumatic right proximal subclavian artery pseudoaneurysm treated with a hybrid procedure: A case report.

Blunt trauma to the right proximal subclavian artery is uncommon and tends to be associated with pseudoaneurysm formation. We report a patient with right proximal subclavian artery pseudoaneurysm after blunt chest trauma following a motor vehicle accident. The condition was successfully treated with a combined insertion of a covered stent and carotid-carotid bypass as a hybrid procedure.

Derepression of Mineral Phosphate Solubilization Phenotype by Insertional Inactivation of iclR in Klebsiella pneumoniae.

The mode of succinate mediated repression of mineral phosphate solubilization and the role of repressor in suppressing phosphate solubilization phenotype of two free-living nitrogen fixing Klebsiella pneumoniae strains was studied. Organic acid mediated mineral phosphate solubilization phenotype of oxalic acid producing Klebsiella pneumoniae SM6 and SM11 were transcriptionally repressed by IclR in presence of succinate as carbon source. Oxalic acid production and expression of genes of the glyoxylate shunt (aceBAK) was found only in glucose but not in succinate- and glucose+succinate-grown cells.

Silver(I)-Catalyzed Regioselective Construction of Highly Substituted α-Naphthols and Its Application toward Expeditious Synthesis of Lignan Natural Products.

A novel route has been developed for regioselective synthesis of highly substituted α-naphthols, binaphthols, and anthracenol through silver(I) catalyzed C(sp(3))-H/C(sp)-H, C(sp(2))-H/C(sp)-H functionalization of β-ketoesters and alkynes, respectively, in a single step using water as a solvent. This protocol exhibited broad substrate scope and paved the way for synthesis of anticancer arylnaphthalene lignan natural products such as diphyllin, taiwanin E, and justicidin A with excellent selectivity.