Suzuki-Miyaura/Mizoroki-Heck coupling cascade to access 2,2'-bifunctionalized biaryls.

Biaryl motifs are essential structural features in several drugs and functional molecules. Cyclic diaryliodonium has been scarcely explored as a bifunctional agent compared to ring opening and annulation reactions. Herein, a three-component cascade approach is developed to synthesize bifunctionalized biaryls employing cyclic diaryliodoniums as a biarylating agent.

Crystallographic Analysis of Short Helical Peptides Containing Homologs of Phenylalanine.

Interactions between aromatic side chains of amino acids stabilize the fold and assembly of short peptides. The aromatic π…π and C-H…π interactions have been widely explored in the design of short peptides with specific folding and aggregation patterns. In the present study, we investigated the effect of homologated phenylalanine side chains on the conformation and assembly of peptide helices through X-ray crystallographic structure determination and analysis of five pentapeptides.

Assessment of azithromycin-induced toxicity in : Effects on morphology, behavior, and lipid metabolism.

Antibiotics are indispensable in modern healthcare, playing a critical role in mitigating bacterial infections. Azithromycin is used to fight upper respiratory tract infections, however has potential toxic effects that remain inadequately understood. In our present study, azithromycin exposure to led to significant physiological and behavioral change, with pronounced effects observed at the studied concentration.

MicroRNAs as Biomarker in Rheumatoid Arthritis: Pathogenesis to Clinical Relevance.

MicroRNAs (miRNAs) have emerged as intricate players in rheumatoid arthritis (RA), holding promise as discerning biomarkers for diagnostic and prognostic purposes. The lack of sensitivity and specificity in current diagnostic techniques, such as rheumatoid factor (RF) and anti-citrullinated protein antibodies (ACPA), causes diagnosis delays in RA. The miR-146a and miR-155 act in inflammatory cascades and reduce joint deterioration, and miR-223 is paradoxical, acting differently in different illness scenarios.

Insights into functional divergence, catalytic versatility and specificity of small molecule glycosyltransferases.

Glycosylation is one of the most fundamental biochemical processes in cells. It plays crucial roles in diversifying plant natural products for structures, bioavailability and bioactivity, and thus, renders the glycosylated compounds valuable as food additives, nutraceuticals and pharmaceuticals. Moreover, glycosylated compounds impact plant growth, development and stress response.

BF-Mediated C2-Amidation of Quinoline Oxides Employing Trifluorodiazoethane and Acetonitrile: Access to 2-(Trifluoroethyl)amidoquinolines.

A Lewis acid-mediated C2-trifluoroethylamidation of quinolines, employing quinoline oxides, trifluorodiazoethane, and acetonitrile to forge a new class of (quinolin2-yl)-(trifluoroethyl)acetamide is presented in this Letter. The reaction proceeds through a carbene generation/nitrile ylide formation/(3 + 2) cycloaddition/rearrangement cascade to furnish quinoline-2-(trifluoroethyl)acetamide derivatives in high yields.

Phyto-metabolomic investigation of biologically active fraction of leaf.

(Wight & Arn.) Benth., leaves are used traditionally in variety of diseases.

Salmonella Typhimurium effector SseI regulates host peroxisomal dynamics to acquire lysosomal cholesterol.

Salmonella enterica serotype Typhimurium (Salmonella) resides and multiplies intracellularly in cholesterol-rich compartments called Salmonella-containing vacuoles (SCVs) with actin-rich tubular extensions known as Salmonella-induced filaments (SIFs). SCV maturation depends on host-derived cholesterol, but the transport mechanism of low-density lipoprotein (LDL)-derived cholesterol to SCVs remains unclear. Here we find that peroxisomes are recruited to SCVs and function as pro-bacterial organelle.

Metabolic-Engineering Approach to Enhance Vanillin and Phenolic Compounds in Ocimum Sanctum (CIM-Angana) via VpVAN Overexpression.

Transgenic Ocimum sanctum plants were engineered to produce vanillin by overexpressing the VpVAN gene using Agrobacterium-mediated transformation. Positive transformants developed shoots within 4-5 weeks and were transferred to a root induction medium and four independent transformants with no observed adverse effects were kept for anlysis. Quantitative RT-PCR indicated significantly higher VpVAN expression in transgenic lines AG_3 and AG_1, impacting the phenylpropanoid pathway and phenolic compound accumulation.

Quantitative analysis of vasicine and vasicinone in (Nees.) using RP-HPLC: distribution and solvent extraction efficiency.

Nees (Acanthaceae), an ayurvedic shrub, is used widely in respiratory disorders. The pharmacologically most studied phytoconstituent in is vasicine, a bitter quinazoline alkaloid present in leaves. A robust method was developed for the simultaneous quantification and analysis of two major alkaloids i.

MD simulations for rational design of high-affinity HDAC4 inhibitors - Analysis of non-bonding interaction energies for building new compounds.

This study investigates the contributions of non-bonding energy (NBE) to the efficacy of four HDAC4 co-crystallized inhibitors (HA3, 9F4, EBE, and TFG) through 100ns Molecular Dynamics (MD) simulations. These inhibitors contain hydroxamic acid (HA3, 9F4, EBE) or diol (TFG) as zinc-binding groups. In PDBs 2VQJ and 2VQM, the HDAC4 catalytic domain is in the 'open' conformation, while in PDBs 4CBT and 6FYZ, the same is in the 'closed' conformation.

iDCNNPred: an interpretable deep learning model for virtual screening and identification of PI3Ka inhibitors against triple-negative breast cancer.

Triple-negative breast cancer (TNBC) lacks estrogen, progesterone, and HER2 expression, accounting for 15-20% of breast cancer cases. It is challenging due to low therapeutic response, heterogeneity, and aggressiveness. The PI3Ka isoform is a promising therapeutic target, often hyperactivated in TNBC, contributing to uncontrolled growth and cancer cell formation.

Unlocking microbial reservoirs for antimicrobial peptides and beyond.

Recently, Santos-Júnior et al. utilized a machine learning approach to identify nearly a million novel antimicrobial peptides (AMPs) from the global microbiome. Here we explore the untapped potential of plant- and soil-associated microbiomes as a source of novel peptides, highlighting their promising applications in advancing agricultural innovation and sustainability.

SeqDPI: A 1D-CNN approach for predicting binding affinity of kinase inhibitors.

Predicting drug target binding affinity has huge relevance in Modern drug discovery and drug repositioning processes which assist doctors to come up with new drugs or even use the existing drugs for new target proteins. In silico models, using advanced deep learning techniques could further assist these prediction tasks by providing most prominent drug target pairs. Considering these factors, a deep learning based algorithmic framework is developed in this study to support drug target interaction prediction.

Time series analysis of uptake and translocation of Cd and expression of transporter genes in nine Andrographis paniculata accessions.

Cadmium is a non-essential and toxic metal. Its presence in plants can have hazardous effects not only on the plants themselves but also on human health after consumption. A time-dependent experiment was conducted on nine accessions of A.

Integrative multivariate analysis of agro-chemical and genotypic traits in Indian catmint (Nepeta cataria L.) half-sib populations.

This investigation conducted a comprehensive multivariate analysis on thirty half-sib populations of Nepeta cataria L., derived from natural populations based on oil yield. The study addresses the lack of comprehensive data on genetic, phenotypic, and chemical diversity in Nepeta cataria, which is essential for material selection and for conducting effective breeding programs.

pH-Activatable Molecular Probe for COX-2 Imaging in Human Oral Squamous Carcinoma Cells and Patient-Derived Tissues.

For developing a successful cancer therapeutic modality, the early precise detection of cancer cells in patient biopsies in oral squamous cell carcinoma (OSCC) is crucial. This could help researchers create new diagnostic and therapeutic tools and assist clinicians in recommending more effective treatment plans and improving patient survival. We have developed an SMPD, cyclooxygenase-2 (COX-2) targeting pH-activable fluorophore named , combining a potent COX-2 inhibitor, celecoxib, linked to a naphthalimide fluorophore with an acidic microenvironment-responsive piperazine moiety for specific optical imaging of OSCC in cells and patient tissues.

An Insight Review on Phytochemistry, Pharmacological Evidences, and Biosynthesis of Key Metabolites of Indian Himalayan Cherry (Prunus cerasoides Don.) with Emphasis on its Safety and Use in Tradtional Phytomedicine.

Padmaka (Prunus cerasoides Don.), or wild Himalayan cherry, is a deciduous tree from the Rosaceaae family. The Prunus genus has 400-430 species, including shrubs and trees.

Integrating DNA Barcoding Within an Orthogonal Approach for Herbal Product Authentication: A Narrative Review.

Introduction: Existing methods for morphological, organoleptic, and chemical authentication may not adequately ensure the accurate identification of plant species or guarantee safety. Herbal raw material authentication remains a major challenge in herbal medicine. Over the past decade, DNA barcoding, combined with an orthogonal approach integrating various testing methods for quality assurance, has emerged as a new trend in plant authentication.

Microplastic contamination in Indian rice: A comprehensive characterization and health risk assessment.

In this study, we investigate, for the first time, the abundance, distribution, chemical composition, and exposure of microplastics (MPs) in Indian rice and their impact on human health. The physical and chemical characteristics of MPs were measured using a stereomicroscope, μ-Fourier transform infrared spectroscopy, and μ-Raman spectroscopy. MPs were identified in all samples, with an average abundance of 30.

Dehydroepiandrosterone (DHEA), a circulating steroid hormone precursor produced potent vasorelaxation in rat aorta and mesenteric arteries through blockade of L-type voltage-dependent calcium channels.

Dehydroepiandrosterone (DHEA) is known for potent cardioprotective properties and diminished DHEA level in plasma is often associated with hypertension and age-related anomalies. However, putative ex-vivo vasorelaxation potential of DHEA in systemic resistance vessels like mesenteric arteries and conduit arteries like aorta are still to be worked out. The study aimed to explore vasorelaxation potential of DHEA in superior and resistance mesenteric arteries and aorta in rats and to determine the contribution L-type Voltage dependent calcium channel (L-VDCC) in the relaxation response in these arterial tissues.

Unraveling Water-Soluble Constituents of Basil (Ocimum basilicum L.) in Relation to Their Toxicity and Anti-Typhoidal Activity in Mouse Models.

Plants are the major source of natural flavour ingredients reported for their wide applications in food and pharmaceuticals, oral care and wellness products, etc. We have investigated the water-soluble fractions (WSF) of basil tetraploid (O. basilicum L.

Enantioselective Synthesis of Azatricycles via Post-Ugi Cyclizations.

We report a new method to create enantioenriched azatricycles using chiral α-amino acids in a two-step process after an Ugi reaction. Amino acids are great building blocks for making pure chiral molecules. Using chiral natural molecules in multicomponent reactions (MCRs) helps increase their variety by adding new chiral centers.

The next frontier in multiple sclerosis therapies: Current advances and evolving targets.

Recent advancements in research have significantly enhanced our comprehension of the intricate immune components that contribute to multiple sclerosis (MS) pathogenesis. By conducting an in-depth analysis of complex molecular interactions involved in the immunological cascade of the disease, researchers have successfully identified novel therapeutic targets, leading to the development of innovative therapies. Leveraging pioneering technologies in proteomics, genomics, and the assessment of environmental factors has expedited our understanding of the vulnerability and impact of these factors on the progression of MS.