This study presents a green, cost-effective, and eco-friendly approach for synthesizing zinc oxide nanoparticles (ZnO NPs) using leaf extracts of Cheilocostus speciosus (CS) and Gardenia gummifera (GG) as bio-reducing, capping, and stabilizing agents. Zinc nitrate hexahydrate served as the precursor. The synthesized ZnO NPs were thoroughly characterized using XRD, FT-IR, UV–Vis-IR, XPS, SEM–EDS, and TEM-SAED techniques. XRD analysis confirmed a hexagonal zincite phase, with average crystallite sizes of 22 nm (CS-ZnO) and 25 nm (GG-ZnO). FT-IR spectra confirmed the presence of Zn–O bonds along with phytochemical-derived functional groups. UV–Vis–NIR spectroscopy revealed strong absorption around 320–348 nm, with band gap energies of 3.07 eV (CS-ZnO) and 2.74 eV (GG-ZnO), indicating size-dependent quantum confinement. SEM and TEM analyses showed spherical to conical morphology, with particle sizes ranging from 8–50 nm (CS-ZnO) and 18–90 nm (GG-ZnO). XPS confirmed Zn²⁺ oxidation state, and SAED indicated polycrystalline nature. Bioactivity assays demonstrated significant cytotoxic activity against A549 cell line, antimicrobial activity against E. coli, S. aureus, and Alternaria alternata, with CS-ZnO showing slightly higher inhibition zones. Antioxidant potential, assessed via DPPH assay, revealed higher activity than ascorbic acid at comparable concentrations. These results underscore the potential of phytosynthesized ZnO NPs in biomedical, pharmaceutical, and food preservation applications, highlighting the promise of green synthesis strategies in nanomaterials development.

The present study demonstrates a sustainable phytogenic route for the synthesis of cobalt oxide nanoparticles (CoO NPs) utilizing Uraria picta (Jacq.) DC. plant extract as a natural reducing and stabilizing agent. The whole plant was collected, shade-dried, powdered, and processed to obtain an aqueous extract, which was subsequently reacted with cobalt chloride hexahydrate stock solution, leading to the formation of CoO NPs via a green synthesis pathway. The appearance of a distinct color change confirmed nanoparticle formation. The resulting material was centrifuged, filtered, dried, and calcined to obtain blackish-violet CoO NPs. Comprehensive characterization of the biosynthesized nanoparticles was performed using UV–Vis spectroscopy, FTIR, XRD, EDS, SEM, and TEM analyses, confirming their structural, morphological, and elemental properties. Furthermore, the synthesized CoO NPs exhibited significant antioxidant potential and antibacterial activity against selected bacterial strains. This eco-friendly and cost-effective green synthesis approach not only avoids hazardous chemicals but also provides a promising strategy for the development of nanomaterials with potential biological and environmental applications.

Declining soil fertility and extensive use of chemical fertilizers threaten the long-term sustainability of cereal production in semiarid regions of India.

Toxoplasma gondii , an obligate intracellular protozoan parasite, remains a major zoonotic pathogen with members of the family Felidae serving as its definitive hosts. The limited efficacy and emerging resistance of current anti-toxoplasmic agents necessitate the identification of improved inhibitors targeting the parasite’s key metabolic enzymes. This study leverages a multi-parametric computational approach to evaluate the efficacy of Pyrimethamine, Sulfadiazine, and Clindamycin as potential TS-DHFR (Thymidylate synthase-dihydrofolate reductase) inhibitors targeting Toxoplasma gondii . A series of in silico techniques are employed to thoroughly evaluate their drug-likeness, pharmacokinetics, toxicity, and binding affinity. An analysis of physicochemical properties is performed to evaluate key molecular descriptors, including molecular weight, LogP, hydrogen bond donors and acceptors, topological polar surface area (TPSA), and rotatable bond count, all of which influence the ability of a compound to permeate biological membranes. The POM analysis, integrating PETRA, Osiris, and Molinspiration modules are utilised to compute quantum mechanical descriptors, predict toxicity risks, and estimate bioactivity scores across a range of pharmacological targets. In silico ADMET profiling performed using SwissADME, pkCSM, and ADMETlab that predict toxicity risks, and estimate bioactivity scores across a range of pharmacological targets, such as oral absorption, blood-brain barrier penetration, cytochrome P450 enzyme interactions, and potential toxicological endpoints, including hepatotoxicity, AMES mutagenicity, and skin sensitisation, thereby establishing a preliminary safety profile. Pharmacokinetic simulations are also carried out to forecast oral bioavailability, gastrointestinal absorption, volume of distribution, systemic clearance, and biological half-life. Moreover, molecular docking using AutoDock simulated the interaction of the three drugs with the TS-DHFR active site, evaluating binding energies, types of interactions hydrogen bonds, hydrophobic contacts, π-π stacking), and identifying key amino acid residues involved in ligand binding. Finally, Density Functional Theory (DFT) studies are conducted to complement the molecular-level understanding. These involved geometry optimization, Molecular Electrostatic Potential (MEP) mapping, Mulliken charge distribution analysis, and frontier molecular orbital (HOMO-LUMO) evaluations, providing insights into the electronic properties, reactivity, and stability of the ligands. This integrative computational framework provides a comprehensive in silico evaluation of the three clinically relevant potential drugs for systematic drug repurposing and optimisation strategies aimed at treating toxoplasmosis through TS-DHFR inhibition within wild and domestic members of Family Felidae .