A molecular dynamics protocol for rapid prediction of EGFR overactivation and its application to the rare mutations S768I, S768N, D761N.

Hyperactivation caused by mutations in the Epidermal Growth Factor Receptor (EGFR) kinase domain is implicated in various diseases, including cancer. However, the structural mechanisms underlying overactivation in many EGFR mutations remain poorly understood, and exploring these mechanisms through conventional experiments or simulations is often labor- and cost-intensive. Here, we establish a Molecular Dynamics (MD) protocol capable of rapidly revealing EGFR mutant modes of action using multiple short simulations.

Evaluation of a novel surrogate panel for classifying human colorectal carcinomas according to consensus molecular subtypes.

Clinical triaging of colorectal carcinomas (CRCs) is essential for prognostication and therapeutic decision-making. Consensus Molecular Subtyping (CMS) was developed for this purpose; however, it requires comprehensive genomic and transcriptomic studies and prediction algorithms, restricting its usage. We examined the utility of a limited surrogate panel of markers for classifying CRCs.

-NbO as a recyclable heterogeneous catalyst for the synthesis of 2-substituted benzimidazoles and quinazolinones in an aqueous medium oxidative dehydrogenative coupling.

Niobium pentoxide with a deformed orthorhombic phase (-NbO) was found to be an efficient heterogeneous catalyst for the synthesis of N-heterocyclic compounds such as 2-substituted benzimidazoles and quinazolinones from primary alcohols oxidative dehydrogenative coupling in an aqueous medium. This environmentally benign method uses a bench-stable, heterogeneous, and biologically inert niobium metal-based catalyst, and the catalytic system is free of toxic metals, additives, oxidants, solvents, and byproducts. The catalyst is compatible with different substrates, and the desired benzimidazoles and quinazolinones were obtained in moderate to good yields.

Rheotaxis and hygropetry governs the behaviour of Pirenella cingulata populations on a tropical mesotidal mudflat.

Foraging epibenthic gastropods (Cerithiid horn snails) on the intertidal mudflats have a significant ecological function in terms of organic matter remineralisation. Vast coastal mudflats get inundated and exposed daily with varying degree of tidal cycles temporally influencing the distribution of cerithiid population. We identify the microhabitats of cerithiid's active feeding movement on the mudflats for a period of one and half year and discuss the noteworthy reasons for avoidance of mudflat regions by these populations.

Genome-wide identification of PP2A gene family in reveals the potential role of in abiotic stress.

Background: Protein phosphatases (PP) play a crucial role in regulation of physiological response to various environmental stimuli in plants. Protein phosphatase 2A (PP2A) are a class of Ser/Thr protein phosphatases which are present widely across plant species and facilitate plant responses to biotic and abiotic stresses, and hormone treatment.

Methods: Using BLASTp, tea PP2A genes were found and their physicochemical characteristics (ExPASy), subcellular localization, and intron-exon structure (GSDS) were described.