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.

Implications of non-native metal substitution in carbonic anhydrase - engineered enzymes and models.

The enzyme carbonic anhydrase has been intensely studied over decades as a means to understand the role of zinc in hydrating CO. The naturally occurring enzyme has also been immobilized on distinct heterogeneous platforms, which results in a different hybrid class of catalysts that are useful for the adsorption and hydration of CO. However, the reusability and robustness of such natural and immobilized systems are substantially affected when tested under industrial conditions, such as high temperature and high flow rate.

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.

Synthesis of benzosultams Ag(I)-catalyzed alkylative cyclization of vinyl sulfonamides.

A convenient method to access benzo-fused-γ-sultams alkyl radical induced cyclization of vinyl sulfonamides is presented. A wide range of carboxylic acids including sterically hindered adamantanes participated as alkyl donors in this Ag(I)-catalyzed decarboxylative alkylation. The reaction utilizes readily available starting materials and demonstrates a broad substrate scope.

Atomically Tailored Zn-ZIF-8 via RuNi Nanoalloy Replacement for Improved Photocatalytic H Evolution.

In this study, we developed a solid-state atomic replacement method for metal catalysts, enabling the exchange of metal atoms between single atoms and nanoalloys to create new combinations of nanoalloys and single atoms. We observed that partial metal interchange occurred between the RuNi nanoalloy and Zn from the zeolitic imidazolate framework-8 (ZIF-8) on a carbon-nitrogen framework (CNF) at a high temperature of 900 °C, leading to the creation of RuZn nanoparticles and single nickel atoms (Ni-CN). Extended X-ray absorption fine structure (EXAFS) and X-ray absorption near edge structure (XANES) analyses revealed that Ni is atomically dispersed within (RuZn)/Ni-CN.

A MOF-derived CuO/TiO photocatalyst for methanol production from CO reduction in an AI-assisted continuous flow reactor.

A CuO/TiO hybrid heterostructure was successfully engineered from copper metal-organic frameworks (MOFs) using a two-step process involving solvothermal synthesis and calcination. By precisely controlling the CuO loading, this synergistic composite exhibited exceptional performance in photocatalytic CO reduction. Notably, AI-assisted continuous flow experimentation achieved a record-breaking methanol production rate of 2.

Yohimbine treatment improves pulmonary fibrosis by attenuating the inflammation and oxidative stress via modulating the MAPK pathway.

Idiopathic pulmonary fibrosis (IPF) is a devastating interstitial lung disorder characterized by the accumulation of extracellular matrix and collagen, resulting in significant parenchymal scarring and respiratory failure that leads to mortality. Yohimbine (YBH) is an α-2 adrenergic receptor antagonist with anti-oxidant and anti-inflammatory properties. In the current study, we aimed to investigate the anti-inflammatory, anti-oxidant and anti-fibrotic activity of YBH against LPS/TGF-β-induced differentiation in BEAS-2B/LL29 cells and bleomycin (BLMN) induced pulmonary fibrosis model in rats.