Faculty Publications
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Scholarly Publications by Integral Academia
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Item Biological Activity of Isatin-Based Schiff Bases(Tashkent Institute of Chemical Technology, 2026) Umme Habiba Malik, Malik NasibullahThe presence of both the isatin nucleus and the azomethine (-C=N-) functional group, which greatly influence their pharmacological characteristics, isatin- based Schiff bases have become a significant family of bioactive chemicals. A large range of Schiff base derivatives with improved biological activity can be synthesized thanks to isatin's structural adaptability. These substances offer a wide range of therapeutic actions, including antibacterial, antifungal, antiviral, antitubercular, anticancer, anti-inflammatory, antioxidant, and anticonvulsant properties, according to recent research. The kind and location of substituents on the isatin ring and Schiff base moiety have a significant impact on the biological efficacy of isatin-based Schiff bases by influencing how they interact with biological targets. Furthermore, these substances' capacity to create stable metal complexes frequently results in increased pharmacological activity and bioavailability. According to mechanistic studies, their biological effects might result from interactions with cellular signaling pathways, enzymes, and nucleic acids. This talk emphasizes the promise of isatin-derived Schiff bases as lead compounds in drug discovery by highlighting recent advancements in their synthesis, biological assessment, and structure activity relationship investigations. An increasing amount of research suggests that isatin-based Schiff bases are excellent candidates for the creation of innovative therapeutic agents to address new issues in cancer, infectious diseases, and disorders linked to oxidative stress. In medicinal chemistry, isatin (indole-2,3-dione) is a special endogenous scaffold that is well-known for its wide range of pharmacological actions. Simultaneously, Schiff bases (>C=N-linkage) have attracted significant interest because of their structural flexibility, simplicity of synthesis, and electrical characteristics that promote efficient drug-receptor interactions. In order to improve therapeutic efficacy and reduce off-target toxicity, this study investigates the strategic integration of these two pharmacophores to create a novel library of isatin-based Schiff bases.In this work, substituted isatins were condensed with different aromatic and heteroaromatic primary amines to create a number of new isatin derivatives. Using standard spectroscopic methods such as Fourier-transform infrared spectroscopy (FT-IR), proton and carbon nuclear magnetic resonance (1H-NMR and 13C-NMR), and mass spectrometry (MS), the chemical structures of the produced compounds were carefully clarified.Item Computational Studies of Thiosemicarbazone-Based Metal Complexes and Their Biological Applications(MDPI, 2026) Kulsum Hashmi, Satya, Priya Mishra, Ekhlakh Veg, Tahmeena Khan, Seema JoshiThiosemicarbazones are known for their versatile coordination behavior and wide-ranging applications in the field of materials science, catalysis, and medicinal chemistry. Several investigations have reported on the biological potential of transition metal complexes of TSCs. In addition, the structural, electronic, and reactive properties of these complexes are explored through computational studies using molecular docking and density functional theory (DFT). Such investigations not only support the interpretation of experimental results but also influence synthetic design by predicting the structural behavior of the complexes. In this study, we explore the computational studies of thiosemicarbazone metal complexes along with their biological activities.Item A Brief Review on the Exploration of Nanocomposites and Their Properties Through Computational Methods for Biological Activity Evaluation(MDPI, 2025) Nashra Fatima,Ekhlakh Veg, Tahmeena KhanThis brief review examines the application of various computational approaches to investigate the physicochemical and interfacial properties of nanocomposite systems. Density functional theory (DFT), a quantum-mechanical technique, examines the fundamental properties of nanomaterials. Molecular docking studies have also been explored to show how different biological macromolecules can interact and bind with the nanoparticles (NPs’) surface, along with the molecular dynamics (MDs) simulations, which further strengthen the docking findings. Furthermore, nanotoxicology, a comparatively less explored field, has also been introduced, providing an insight into the interactions between nanomaterials and the environment and biological systems, including the harmful consequences.Item Ultrasonic-Assisted Synthesis of Zinc Oxide Nanocomposites with Substituted Thiosemicarbazide Ligands: An Overview(MDPI, 2025) Ekhlakh Veg, Nashra Fatima, Tahmeena Khan Tahmeena Khan ScilitPreprints.orgGoogle Scholar 1Metal oxide nanocomposites have gained significant attention due to their unique physicochemical properties and applications in biomedicine, catalysis, sensing, and environmental remediation. Among them, zinc oxide (ZnO) nanoparticles (NPs) are widely studied, and functionalization with thiosemicarbazide (TSC) derivatives enhances their stability, reactivity, solubility, and biocompatibility. Ultrasonic-assisted synthesis offers an eco-friendly approach, enabling rapid nucleation, uniform dispersion, and controlled particle size while promoting efficient ligand coordination. Nanocomposites are typically characterized using various spectroscopic techniques, which confirm successful functionalization. This review highlights synthesis strategies, characterization techniques, and applications of ligand-functionalized metal oxide nanocomposites in environmental, catalytic, and biological fields.