Novel Assembling of Furano-Fused Azepinone Derivatives for Inhibition of Acetylcholinesterase Responsible for Alzheimer’s Disease: Synthesis, Molecular Docking, DFT, In Vitro, and In Silico Studies Annu Bhardwaj, Shivangi Jaiswal, Khushboo Bhardwaj, Tripti Paliwal, Shivangi Bharadwaj, Swarnima Negi, Gulshan Kumar, Sonika Jain, Dharma Kishore, Swapnil Sharma, Jaya Dwivedi ACS Chemical Neuroscience, 2026 A new assembly of furano-fused azepinone derivatives was carried out in two steps, i.e., 3 + 2 cycloaddition followed by hydroxylammonium- O -sulfonic acid (HOSA)-assisted Beckmann rearrangement in aqueous conditions. This methodology uses a readily available starting synthon, dimedone, to synthesize five- and six-membered condensed furano-azepinone derivatives 5(a-n), and their structures were validated by spectral techniques. In vitro antiacetylcholinesterase (AchE) activity revealed that compound 5n (IC 50 = 2.38 ± 0.02 nM) showed higher inhibitory activity than reference drugs galantamine (IC 50 = 2.84 ± 0.01 nM). Later, cytotoxicity studies of the synthesized compounds were conducted on SHSY5Y cell lines, indicating the concentration-dependent inhibition, i.e., the highest cell viability at 25 μM, whereas the lowest viability at 400 μM. Further intracellular ROS measurements indicate that 5n exhibits superior ROS-scavenging capabilities in fluorescence-based assays. Molecular docking and density functional theory (DFT) analyses were applied to further validate the binding interactions of the compounds with the AchE active site. The combined experimental and computational investigation revealed that 5n exhibits significant anti-AchE activity and warrants further exploration for its medicinal utility in Alzheimer’s disease and related challenges. The design, synthesis, and AchE inhibitory properties of the synthesized furano-azepinone derivatives were patented under Indian patent number 202511048244.
Sustainable Synthesis and Biological Aspects of Pyrrolobenzodiazepine Derivatives: An Insight Into Current Developments, Structure-Activity Relationships, and Clinical Studies Anshita Paliwal, Shivangi Jaiswal, Kanika Verma, Diksha Bareth, Sonia Zeba Hashmi, Sarvesh Paliwal, Swapnil Sharma, Jaya Dwivedi Chemical Record, 2026 Pyrrolobenzodiazepine is tricyclic ring system containing five‐, six‐, and seven‐membered nitrogen heterocycles in the molecular framework. This is a privileged pharmacophore found in pharmaceutical drugs and natural products. However, researchers worldwide are exploring green synthetic methods to develop novel bioactive agents to curb undesirable health effects in humans and aquatic animals. In view of this, various sets of pyrrolobenzodiazepines were synthesized by modulating the ring position or by adding other pharmacophores to enhance the molecules’ efficacy. This review is primarily concerned with retrosynthetic, functionalization, and green synthesis of pyrrolobenzodiazepines (1965–2025), followed by an in‐depth discussion of their various biological properties, highlighting structure–activity relationships, molecular docking, and in vitro and in vivo studies on pyrrolobenzodiazepines. This review provides an overview of the synthesis, structural characteristics, and diverse spectrum of biological properties, which will surely open a new window for the design and development of potent pyrrolobenzodiazepine‐based drugs in future research.
Catalytic Application of Ionic Liquids for the Green Synthesis of Aromatic Five-Membered Nitrogen Heterocycles Jaya Dwivedi, Shivangi Jaiswal, Devesh U. Kapoor, Swapnil Sharma Catalysts, 2025 Five-membered nitrogen heterocycles exhibit a diverse range of applications across various fields, including medicine, agrochemicals, and materials science. Worldwide industries have exploited hazardous organic solvents and catalysts to afford key bioactive heterocycles, which in turn have a devastating impact on the aqueous environment. The tremendous rise in environmental contamination has shifted the focus of the scientific community towards sustainable alternatives. In line with this, ionic liquids have received the attention of investigators and are widely preferred in organic transformations as catalysts, solvents, ligands, and co-catalysts. Ionic liquids exhibit superior physicochemical properties, such as non-volatility, excellent conductivity, low vapour pressure, non-flammability, and electrochemical and thermal stability, thereby emerging as a clean and efficient alternative to the hazardous volatile organic solvents. The ionic-liquid-assisted synthetic approach has become a popular, greener method owing to high efficiency and product yield with notable purity. Thus, the present article aimed at highlighting catalytic applications of ionic liquids in the synthesis of aromatic five-membered nitrogen heterocycles such as pyrrole, pyrazole, imidazole, 1,2,3-triazole, 1,2,4-triazole, and tetrazole. This article will provide an insight into ionic liquids for their further exploration in organic transformations and related applications.
New Trends in Click Reactions for Synthesis of 1,2,3-Triazole Derivatives Shivangi Jaiswal, Khushboo Bhardwaj, Jaya Dwivedi, Swapnil Sharma Chemistry and Biodiversity, 2025 Among various heterocyclics, five‐membered triazole nitrogen heterocycles show vast application in the medicinal, industrial, and agricultural sectors, and so forth. The Cu‐catalyzed click reaction has gained significant attention from investigators for the selective synthesis of triazole derivatives, but the toxicity occurs due to excessive presence of copper in the final product and associated intake limits its application. In the quest for the development of sustainable synthetic strategies, copper‐free, metal‐free, and water‐assisted reactions are becoming popular. In view of this, the present review article focuses on recent developments (last 10 years) made in sustainable click reactions to afford the synthesis of triazole derivatives in high yield, mild reaction conditions, easy isolation and purification of products from readily available starting materials. Besides, novel eco‐friendly click reactions such as photocatalytic click reactions, water‐assisted click reactions, metal–organic framework‐based click reactions, metal‐free click reactions, solvent‐free click reactions, and electrochemical click reactions have been reviewed. In addition, various patents and current clinical trials on triazoles have been discussed.
