Sangeeta Bajpai

The amide macrocyclic complexes of zinc [ZnMc1, ZnMc2, and ZnMc3 (1–3)] were synthesized through template condensation of oxalic acid with different diamines, p-phenylenediamine, ethylenediamine, and propylenediamine, respectively. These zinc complexes (1–3) were characterized using FT-IR, UV-Vis, ^IHNMR spectral studies, conductance measurements, and DFT analysis. Compounds 1–3 were also tested for in vitro antibacterial and anticancer activities against Bacillus subtilis and HCT-15 cell lines. The results suggest that these complexes have promising antimicrobial and anticancer properties. The molecular structures of these zinc (II) complexes (1–3) were also optimized theoretically, and their electronic and thermodynamic properties were determined with density functional theory (DFT). Finally, molecular docking studies using Auto Dock, evaluated the biological relevance of the synthesized complexes, identifying the most effective binding modes between the complexes and the receptor protein’s active site. Two protein receptors, 6COX and 7AHL, were used to dock the macrocyclic complexes. The binding energies provide insights into their pharmaceutical potential. SwissADME and pkCSM were used to predict pharmacokinetic properties and toxicity. The ADMET profile of these macrocyclic architectures (1–3) revealed their oral bio-availability and drug-like properties. Zinc complexes are well-known for their medicinal applications, so the present work was aimed to synthesize and study their promising behavior as drug candidates for the future. However, further research and optimization strategies are required to enhance their biological activity and develop them into potent inhibitors.

The amide macrocyclic complexes of zinc (ZnMc1, ZnMc2, and ZnMc3) were synthesized through template condensation of oxalic acid with different diamines (p-phenylenediamine, ethylenediamine, and propylenediamine). These zinc complexes were characterized using FT-IR, UV-Vis, conductance measurements, and DFT analysis, then tested for in vitro antibacterial and anticancer activities against Bacillus subtilis and HCT-15 cell lines, respectively. The results suggest that the complexes have promising antimicrobial and anticancer properties. The molecular structures of these zinc (II) complexes were also optimized theoretically, and their electronic and thermodynamic properties were determined with density functional theory (DFT). Finally, molecular docking studies using AutoDock evaluated the biological relevance of the synthesized complexes, identifying the most effective binding modes between the complexes and the receptor protein's active site. Two protein receptors, 6COX and 7AHL, were used to dock the macrocyclic complexes. The binding energies provide insights into their pharmaceutical potential. SwissADME and pkCSM were used to predict pharmacokinetic properties and toxicity. The ADMET profile of these macrocyclic architectures revealed their oral bioavailability and drug-like properties. Zinc complexes are known for their medicinal applications. So, these complexes were synthesized and studied as promising drug candidates for the future, though further research is needed to develop potent inhibitors.

Selenium-containing heterocycles are pivotal organic molecules with extensive applications in pharmaceuticals, agrochemicals, and organic materials due to their unique properties and bioactivities. The presence of selenium in organic frameworks is of considerable significance in synthetic chemistry, facilitating diverse reactivity and functionality. The scientific community has explored various conventional and non-conventional methods for synthesizing selenium-containing heterocycles, each offering distinct advantages and limitations. Conventional methods often involve stoichiometric reagents and harsh reaction conditions, which, while effective, can be less environmentally friendly. These methods include traditional cyclization reactions, such as those using selenium reagents at high temperatures or in corrosive solvents. In contrast, non-conventional approaches, including microwave, ultrasound, visible light, and electrochemical technologies, have emerged as greener and more sustainable alternatives. These advanced techniques leverage the energy of light or electrical currents to drive the synthesis of selenium-containing heterocycles under milder conditions. This review summarizes recent developments in synthetic techniques for selenium- containing heterocycles under diverse reaction conditions, using selenium and other selenylating reagents from 2009 to 2025.

: The main emphasis of green chemistry is to reduce environmental pollution. Its main goal is to adopt a cost-effective and harmless strategy for human health and the environment. The green synthetic routes have succeeded in adopting solvent-free conditions as an effective tool for sustainability. Heterocycles are organic compounds that are widely distributed by nature. Many of them possess medicinal and pharmacological properties, as this heterocyclic moiety is found in many drugs. The solvent-free strategies for the Synthesis of bioactive heterocycles are, now-adays, regarded as an important objective. Solvent-free reactions are eco-friendly, cost-effective, and an environmentally benign route in organic transformation methods because of their effi-ciency, reduced reaction time, and high yields, thereby saving energy. This mini-review focuses on the environmentally benign solvent-free Synthesis of heterocycles and their potential pharma-cological applications.

: Transition metals have a useful and significant role in catalysis. They are considered essential chemical tools in various organic transformations. Transition Metal catalysts are extensively used in the research laboratory and industrial/manufacturing processes. Indeed, it is hard to find a complex synthetic reaction or an industrial process that does not, at some stage, require a metal catalyst. They have a paramount impact on organic transformations and have been considered the core part of catalysis in chemistry. This article reports the catalyst reaction by transition metals (Cu, Ni, Fe, and Co).

Three novel organotellurium decorated 10-membered tetraazamacrocyclic complexes of Co(II) were synthesized using template condensation of 1,1-diiodo-1-telluracyclopentane, 1,1-diodo-2-methyl-1-telluracyclopentane and 1,1-diiodo-1,1-diethyltellurium(IV) with 1,2-diaminopropane and cobalt dichloride hexahydrate in dry methanol in 2:2:1 molar ratio. The characterization of the synthesized cobalt(II) complexes was carried out using elemental analysis, spectroscopic studies (IR, proton NMR & proton decoupled carbon NMR) and molar conductance measurements. The results of these studies suggested that the complexes may be formulated as [CoLCl2] where L = {C4H8Te-(NHCH2CH(CH3)NH)}2, {C4H7(CH3)Te(NHCH2CH(CH3)NH)}2 and {(C2H5)2Te(NHCH2CH(CH3)NH)}2. The synthesized complexes were also screened for antimicrobial activity using broth microdilution and agar disc diffusion methods.

One of the most efficient non-conventional heating methods is microwave irradiation. In organic synthesis, microwave irradiation has become a popular heating technique as it enhances product yields and purities, reduces reaction time from hours to minutes, and decreases unwanted side reactions. Microwave-assisted organic synthesis utilizes dielectric volumetric heating as an alternative activation method, which results in rapid and more selective transformations because of the uniform heat distribution. Heterocyclic compounds have a profound role in the drug discov-ery and development process along with their applications as agrochemicals, fungicides, herbi-cides, etc., making them the most prevalent form of biologically relevant molecules. Hence, enor-mous efforts have been made to flourish green routes for their high-yielding synthesis under mi-crowave irradiation as a sustainable tool. Among the different clinical applications, heterocyclic compounds have received considerable attention as anti-cancer agents. Heterocyclic moieties have always been core parts of the development of anti-cancer drugs, including market-selling drugs, i.e., 5-fluorouracil, doxorubicin, methotrexate, daunorubicin, etc., and natural alkaloids, such as vinblastine and vincristine. In this review, we focus on the developments in the microwave-assisted synthesis of heterocycles and the anti-cancer activities of particular heterocycles.

Ecofriendly Indium catalyzed synthesis of organic compounds finds various applications in health sectors, electronics, semiconductors, and many more. An efficient co-catalyst and oriented catalyst behavior of Indium has become a choice for many organic transformations. Its compatibility with water, showing nontoxic and nonreactive action, proceeds the reactions with ease. Focus on Indium metal-mediated important organic transformations in water, is visible during the last decades, resulting in diverse organic compounds with excellent yields This present mini-review highlights some important indium metal-mediated reactions in water, for the diverse synthesis of important organic compounds.