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.

A Systematic Review and Meta-Analysis of the Effects of Dietary Isoflavones on Female Hormone-Dependent Cancers for Benefit-Risk Evaluation.

Female hormone-dependent cancers depend on estrogen for their growth. Numerous studies have explored the antitumor effect of dietary isoflavones on female hormone-dependent cancers. Still, few clinical evidence supports the use of isoflavones in female hormone-dependent cancer patients.

Rationally Designed G-Quadruplex Selective "Turn-On" NIR Fluorescent Probe with Large Stokes Shift for Nucleic Acid Research-Based Applications.

Guanine-rich DNA/RNA sequences can form Hoogsteen bonds to adopt noncanonical secondary structures called G-quadruplexes, and these have been associated with diverse cellular processes. There has been considerable research interest in the design of G4-interacting ligands for cellular probing of the G4 structure and understanding its associated biological function. Most of the fluorescent G4 ligands either do not have significant selectivity over other nucleic acid structures, have high Stokes shift, or are not in the near-infrared (NIR) region, which limits its cellular visualization.

5H-benzo[c]fluorene derivative exhibits antiproliferative activity via microtubule destabilization.

Present study aimed at a single component cyclization of 2-benzylidene-1-tetralones for the preparation of 5H-benzo[c]fluorenes and their antiproliferative activity. This ring closure reaction underwent via reductive cyclization in the presence of a sodium borohydride-aluminium chloride system. Ten diverse 5H-benzo[c]fluorene derivatives were prepared and evaluated for antiproliferative activity against three human cancer cell lines by SRB assay.

Trace Ru Incorporation Boosted CoP Nanorods for Superior Water Electrolysis and Substrate-Paired Electrolysis Toward Value-Added Chemicals in Alkaline Medium.

Electro-valorization of biomass-derived chemicals has ensured sustainable production of value-added products, an effective approach for reducing carbon footprint, through renewable energy. Electrochemical oxidation and reduction reactions in aqueous media using HO as a potential source for active hydrogenated and oxygenated species fulfill the purpose. In this study, Ru─CoP nanorods are explored as a bifunctional electrocatalyst toward valorization of Organics at basic media.

The future in diagnostic tools for TB outbreaks: A review of the approaches with focus on LAMP and RPA diagnostics tests.

Tuberculosis (TB) is still the most frequent cause of morbidity and mortality in the world caused by Mycobacterium tuberculosis (MTB). Due to slow diagnostic and treatment options, the disease is a major concern for public health and also increases the burden on the global economy. Rapid, sensitive, and cheaper TB diagnosis test is urgent to lower their rates by point of care testing (POCT).

Therapeutic targeting of Wnt antagonists by small molecules for treatment of osteoporosis.

Wnt signaling is one of the key regulators of bone development and homeostasis. Wnt signaling regulates key biological events, including stem cell fate and osteoblast and osteoclast activity, leading to the maintenance of bone mass and strength. Wnt ligands are secreted glycoproteins that bind to Frizzled (FZD) receptors and their coreceptors, lipoprotein receptor-related proteins-5/6 (LRP5/6).

Silver-Catalyzed Synthesis of 5-Amino-4-sulfonyl Pyrazoles from 1,2-Diaza-1,3-dienes.

A facile and dependable synthetic route for 5-amino-4-sulfonyl pyrazoles, which are substantially important in pharmaceuticals, is highly desirable. This work presents a novel cascade reaction for their efficient synthesis. The approach utilizes silver as a catalyst for C(sp)-H sulfonylation of readily available starting materials 1,2-diaza-1,3-dienes with sulfinate salts, followed by intramolecular cascade cyclization annulation to afford the desired 5-amino-4-sulfonyl pyrazoles in good to excellent yields under mild conditions.

Phylogenetically distant enzymes localized in cytosol and plastids drive citral biosynthesis in lemongrass.

Citral, a naturally occurring acyclic monoterpene aldehyde, is present in the essential oils of various plants, but only a few produce it in abundance. Despite its importance as a key aroma molecule, knowledge regarding the in-planta biosynthesis of citral and its metabolic origin remains limited. Here, we have elucidated the functions of an alcohol dehydrogenase (CfADH1) and an aldoketo-reductase (CfAKR2b) in citral biosynthesis in lemongrass (Cymbopogon flexuosus), one of the most cultivated aromatic crops for its citral-rich essential oil.

Novel nanoformulation for enhanced amphotericin B efficacy and sustained release using vetiver root cellulose nanofibers against Candida albicans.

The formidable antifungal agent, Amphotericin B, is well-known for its potency; however, its clinical application has been significantly limited due to toxicity and poor solubility. This study aims to address these challenges by developing and evaluating a novel nano-cellulose-based formulation of Amphotericin B to enhance its efficacy. Amphotericin B was encapsulated within cellulose nanofibers at varying ratios to optimize formulation parameters, including drug concentration, particle size, zeta potential, and entrapment efficiency.

Metabolic engineering of hairy root cultures in for enhanced production of vanillin, 4-hydroxybenzoic acid, and vanillyl alcohol.

The flavor of vanilla is a complex blend of compounds, with vanillin as the most prominent, along with vanillyl alcohol and 4-hydroxybenzoic acid. Natural vanillin extracted from vanilla beans is expensive, so researchers use heterologous synthesis to produce nature-identical vanillin in plant hosts. Consequently, alternative traditional farming and gathering methods are required to bridge the significant disparity between supply and demand.

Pd-Catalyzed Synthesis of 1-(Hetero)aryl Thioglycosides: Strategy for the Trapping of an Acyl Group of Glycosylthioesters by Coupling of Bis-Electrophilic-Nucleophilic Partners.

Herein, we describe a stereoretentive palladium-catalyzed cross-coupling between the in situ-generated glycosyl thiolate anion and diverse (hetero)aryl iodides at room temperature for creating the library of (hetero)aryl thioglycosides. The key to success is the judicious pairing of bis-electrophilic-nucleophilic partners with a variety of thioesters in an atom-economical way in which both the glycosyl thiolate anion and the acylium cation are incorporated into the final analogue. The advantage of this method is the acyl transfer on various nucleophilic partners, including a hydroxyl, a primary or secondary amine, an amino acid, and the biologically active hSGLT1 inhibitor.

Inhibition of hepatic stellate cell activation by nutraceuticals: an emphasis on mechanisms of action.

Liver diseases emerge as a serious threat to humans worldwide due to increasing morbidity and mortality. Liver disease related deaths accounts for one third of all disease related death globally. A simple fatty liver if unattended advances further to liver fibrosis, cirrhosis and hepatocellular carcinoma.