Synthesis of pyrano[3,2-]chromene-2,5-diones from 4-hydroxycoumarins and aminocrotonates under solvent-free conditions.

A new one-pot approach was developed for the construction of pyrano[3,2-]chromene-2,5-diones by reacting 4-hydroxycoumarins with ethyl 3-oxo-3-phenylpropanoates in the presence of ammonium salts or aminocrotonates under solvent-free conditions. The title compounds were formed by intramolecular cyclization through new C-C and C-O bonds. Structure assignment of compound 3e was confirmed by single crystal X-ray analysis.

6-aryloxy-2-aminopyrimidine-benzonitrile hybrids as anti-infective agents: Synthesis, bioevaluation, and molecular docking.

This report explores the potential of novel 6-aryloxy-2-aminopyrimidine-benzonitrile scaffolds as promising anti-infective agents in the face of the increasing threat of infectious diseases. Starting from 2-amino-4,6-dichloropyrimidine, a series of 24 compounds inspired from the antiviral drugs dapivirine, etravirine, and rilpivirine were designed and synthesized via a two-step reaction sequence in good yields. Biological testing of synthetic analogs revealed potent inhibition against both viral and tuberculosis targets.

Exploring the therapeutic potential of triterpenoid saponins from : Mechanistic insights into hepatoprotection, immunomodulation, anticancer activities, molecular docking, and pharmacokinetics.

The study comprehensively investigated the therapeutic potential of triterpenoid saponin extract (GST), encompassing its hepatoprotective, immunomodulatory, and anticancer activities. The study employed a Prednisolone (PRD)-induced immunosuppressed rat model to assess the hepatoprotective and immunomodulatory effects of GST. Using this model, GST was found to modulate haematopoiesis, improving RBC, platelet, and WBC counts, underscoring its potential in hematopoietic homeostasis.

Understanding Neurogenesis and Neuritogenesis via Molecular Insights, Gender Influence, and Therapeutic Implications: Intervention of Nanomaterials.

Neurological disorders impact global health by affecting both central and peripheral nervous systems. Understanding the neurogenic processes, i.e.

Phyto-metabolomic investigation of biologically active fraction of leaf.

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

Structure-based virtual screening of FDA-approved drugs to discover potential inhibitors of phosphoinositide kinase, PIKfyve.

The phosphoinositide kinase, PIKfyve is a lipid kinase that plays a vital role in membrane trafficking, endosomal transport, retroviral budding, and toll-like receptor signaling. Thus, it has emerged as a potential therapeutic target for several diseases, including, cancer, viral infections, and autoimmune diseases. However, a limited number of PIKfyve inhibitors have been reported so far.

Effective Targeting of Colorectal Cancer Stem Cells by Inducing Differentiation Mediated by Low-Dose Vitamin C via β-Catenin Retention in the Cell Membrane.

Cancer stem cells (CSCs) are implicated as the underlying cause of tumor recurrence due to their refractoriness to conventional therapies. Targeting CSCs through novel approaches can hinder their survival and proliferation, potentially reducing the challenges associated with tumor relapse. Our previous study demonstrated that colorectal cancer stem cells (CR-CSCs) showed sensitivity to Vitamin C (Vit C), displaying a dose-responsive effect where low doses (2-10 µM) promoted cell proliferation while high doses induced cell death.

Structure-Based Virtual Screening and Biological Characterization of Novel BACE-1 and Amyloid-β Aggregation Inhibitors.

Alzheimer's disease (AD) is a complex neurodegenerative disorder having limited treatment options. The beta-site APP cleaving enzyme 1 (BACE-1) is a key target for therapeutic intervention in Alzheimer's disease. To discover new scaffolds for BACE-1 inhibitors, a ChemBridge DIVERSet library of 20,000 small molecules was employed to structure-based virtual screening.

Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.

New cocrystals and a salt-cocrystal intermediate system involving the antifungal drug flucytosine (FCY) and various coformers including caffeic acid (CAF), 2-chloro-4-nitrobenzoic acid (CNB), hydroquinone (HQN), resorcinol (RES) and catechol (CAL), are reported. The crystal structures of the prepared multicomponent systems were determined through SC-XRD analysis and characterized by different solid-state techniques. All FCY multicomponent systems crystallize in anhydrous form with different stoichiometric ratios.

Defects in MOFs for Photocatalytic Water Reduction to Hydrogen Generation: From Fundamental Understanding to State-of-Art Materials.

Metal-organic frameworks (MOFs) are highly studied for solar H production from HO due to their abundant active sites and open pore channels. Titanium (Ti) and Zirconium (Zr) MOFs are particularly noted for their stability and optoelectronic properties, resembling conventional metal oxide semiconductors. These MOFs allow molecular-level tuning to alter optoelectronic properties, creating opportunities to enhance catalytic activity.

In silico inspired design of urea noscapine congeners as anticancer agents: Chemical synthesis and experimental evaluation using breast cancer cells and a xenograft mouse model.

A series of semisynthetic noscapine-urea congeners (7a-7h) as potential tubulin-binding agents are being developed by integrating a urea pharmacophore at the C-9 position of the noscapine scaffold. Their binding affinity to tubulin was predicted through molecular docking, molecular dynamics (MD) simulations, and the MM-PBSA approach. These molecules were subsequently chemically synthesized and assessed using breast cancer cell lines (MCF-7 and MDA-MB-231) and normal human embryonic kidney cells (HEK).

Advancements in Mixed-Matrix Membranes for Various Separation Applications: State of the Art and Future Prospects.

Integrating nanomaterials into membranes has revolutionized selective transport processes, offering enhanced properties and functionalities. Mixed-matrix membranes (MMMs) are nanocomposite membranes (NCMs) that incorporate inorganic nanoparticles (NPs) into organic polymeric matrices, augmenting mechanical strength, thermal stability, separation performance, and antifouling characteristics. Various synthesis methods, like phase inversion, layer-by-layer assembly, electrospinning, and surface modification, enable the production of tailored MMMs.

Transcriptomic Profiling Reveals Sex-Specific Epigenetic Dynamics Involving kdm6b and H3K27 Methylation in Cerebral Ischemia-Induced Neurogenesis and Recovery.

Cerebral ischemic stroke ranks among the leading causes of death and disability worldwide. A significant challenge, beyond the lack of effective therapies, is the frequent oversight of sex as a vital factor in stroke research. This study focuses on elucidating the sex-specific epigenetic mechanisms that contribute to neural damage and recovery in cerebral ischemia.

BINAP-CuH-catalysed enantioselective allylation using alkoxyallenes to access 1,2-,-diols.

Herein, we present an economical method for highly enantioselective and diastereoselective Cu-BINAP-catalysed reductive coupling of alkoxyallenes with a range of electronically and structurally diverse ketones to afford 1,2-,-diols, using PMHS as the hydride source. This reductive coupling has also been efficiently employed in the enantioselective desymmetrization of prochiral cyclic ketones harboring quaternary centres, in high yields with exclusive diastereoselectivity. Density Functional Theory (DFT) calculations are used to elucidate that the reaction is facilitated by a kinetically favourable "open" -enolate copper-alkoxyallene conformer, occurring at a lower Gibbs free energy barrier (by 3.

Effect of PVA-based films incorporated with postbiotics, flax seed mucilage and guar gum to enhance the postharvest quality of fig fruits.

Eco-friendly antimicrobial bio-composite films (BCF) were produced by using guar gum (GG), flax seed mucilage (FM) and polyvinyl alcohol (PVA), supplemented with cell-free supernatant (CFS) of Lactobacillus plantarum (L. p) and Lactobacillus delbrueckii (L. d) by the solvent casting technique.

Design and application of intramolecular arylogous nitroaldol condensation to access 2-aryl-benzofuran and -indole derivatives and formal synthesis of saprisartan.

This study presents the design and application of intramolecular arylogous nitroaldol (Henry) condensation. A transition metal-free, base-mediated reaction of -heteroatom-substituted aryl aldehydes/ketones and 2-nitrobenzyl (pseudo)halides has been developed to access a wide range of 2-(2-nitroaryl)benzofuran/2-(2-nitroaryl)indole derivatives in high yields. The reaction appears to proceed through -/-benzylation and intramolecular arylogous nitroaldol condensation.

N-Protection Dependent Phosphorylation of Dehydroamino Acids to Build Unusual Phosphono-Peptides.

An efficient Mn(III)-promoted phosphorylation of dehydroalanine (Dha) has been developed to give unusual α-amino acids bearing phosphonates/phosphine oxides and β-vinyl phosphonates/phosphinates depending on N-protection of amino acid. N,N-diprotected dehydroalanine reacted with H-phosphonates and H-phosphine oxides to give structurally diverse phosphorylated α-amino acids through conjugate addition of phosphorous radical generated by Mn(OAc).2HO.

Pyrene Derived Donor-Acceptor as a Host for Fullerene Unveils the Crystallinity in Semiconducting Nanostructures.

Donor-acceptor in linear π-conjugated systems elicits the intramolecular charge transfer which improves the optical and electronic characteristics. Nevertheless, linear arrangement of electron donor and acceptor finely tune the charge or electron transfer process divulges the device performance. Therefore, molecular engineering of appropriate D-A with precise spacer is indeed challenging.

Photodynamic Inactivation of Bacteria Using Nickel(II) Complexes with Catecholate and Phenanthroline Ligands.

Metal complexes activated by light can combat infections by triggering the photodynamic inactivation of bacteria. Herein, we report six mixed-ligand nickel(II) complexes with the formulation [Ni(NN)(L)] (1-6), where NN represents an N,N-donor phenanthroline ligand, specifically 1,10-phenanthroline (phen in 1, 2), dipyrido[3,2-d:2',3'-f]quinoxaline (dpq in 3, 4), and dipyrido[3,2-a:2',3'-c]phenazine (dppz in 5, 6), while L is an O,O donor bidentate ligand derived from catechol (cat, in 1, 3, 5) or esculetin (esc, in 2, 4, 6). The paramagnetic d octahedral complexes demonstrated good dark and photostability in the solution phase and exhibited significant light absorption in the visible (400-700 nm) region.

Severity prediction markers in dengue: a prospective cohort study using machine learning approach.

Background: Dengue virus causes illnesses with or without warning indicators for severe complications. There are no clear prognostic signs linked to the disease outcomes.

Methods: Clinical and laboratory parameters among 102 adult including 17 severe dengue (SD), 33 with warning and 52 without warning signs during early and critical phases were analysed by statistical and machine learning (ML) models.

Synthesis of epoxyazadiradione-thiazole hybrid derivatives and evaluation of their cytotoxic activities.

In an attempt to develop natural product-based anticancer agents, a series of novel epoxyazadiradione-thiazole hybrids () were synthesised and evaluated for their anticancer activity. All the synthesised derivatives were assessed for cytotoxic activity against a panel of human cancer and normal cell lines and the results showed that most of the compounds exhibited significant cytotoxic activity against cancer cells and as well some of the compounds showed less cytotoxicity against normal cells. In particular, compound showed potent cytotoxic activity against tongue cancer cell lines.

Pd-catalyzed -/-C-H-annulation of biphenyl amines with enynes through non-rollover cyclometallation.

Annulations through dual C-H activation represent a powerful tool to selectively assemble multi-cyclic scaffolds. We present herein a palladium-catalyzed -/-C-H-annulation of biphenyl amines with 1,6-enynes. This regioselective non-rollover cyclometallation was achieved through meticulous tuning of electronic factors of both the partners.