Eco-synthesis route: Developing bis-hydrazono[1,2,4]-thiadiazoles via a green synthetic approach with calcium oxide-chitosan nanocomposite.

Modern environmental organic chemistry is focused on developing cost-efficient, versatile, environmentally acceptable catalytic chemicals that are also highly effective. Herein, hybrid calcium-chitosan nanocomposite films was prepared by doping calcium oxide molecules into a chitosan matrix at weight percentage (15, 20, and 25 % wt. chitosan­calcium) using an easy and affordable simple co-precipitation process. The CS-CaO nanocomposite's structure was elucidated using analytical techniques such as Fourier transform infrared (FTIR), scanning electron microscopy (SEM), and energy dispersive spectroscopy (EDS). Based on the X ray diffraction (XRD) measurements, the crystallinity was reduced by the incorporation of the CaO molecules. Also, from the calculation of the Debye-Scherrer equation on this X-ray diffraction (XRD) pattern, the crystallite size was found to be 17.2 nm for the nanocomposite film with 20 % wt. The energy dispersive spectroscopy graph demonstrated the presence of the distinctive Ca element signals within the chitosan, with the amount in a sample of 20 % wt. being discovered to be 21.32 % wt. For the synthesis of bis-hydrazono[1,2,4]thiadiazoles, the obtained CS-CaO nanocomposite could be employed as a potent heterogeneous recyclable catalyst. Better reaction yields, quicker reactions, softer reaction conditions, and green reusable efficient biocatalysts for several uses are just a few advantages of this approach.

One-Pot Synthesis of Novel Hydrazono-1,3-Thiazolidin-4-One Derivatives as Anti-HIV and Anti-Tubercular Agents: Synthesis, Biological Evaluation, Molecular Modelling and Admet Studies.

BACKGROUND: The necessity for newer anti-HIV and anti-tubercular medications has arisen as a result of the prevalence of opportunistic infections caused by HIV (human immunodeficiency virus). OBJECTIVE: A series of ten new hydrazono 1,3-thiazolidin-4-one derivatives were synthesized in one-pot and evaluated for anti-HIV and anti-tubercular activities. Molecular Docking was accomplished with HIV-1 reverse transcriptase protein (PDB ID: 1REV) and Mycobacterium Tuberculosis (M. tuberculosis) H37Rv protein (PDB ID: 2YES) receptors along with drug-likeness and ADMET properties. METHODS: One-pot synthesis of hydrazono 1,3-thiazolidin-4-one derivatives was carried out by ketones, thiosemicarbazide and ethylchloroacetate with the catalyst of anhydrous sodium acetate. All the synthesized compounds were characterized and evaluated for their in-vitro anti-HIV and also evaluated for their in-vitro anti-tubercular activity against M. tuberculosis H37Rv. In-silico predicted physicochemical parameters were done by MedChem DesignerTM software version 5.5 and ADMET parameters by pkCSM online tool. Furthermore, molecular docking was performed with pyrx 0.8 by autodock vina software. RESULTS: All the synthesized compounds were characterized and evaluated for their in-vitro anti- HIV activity for inhibition of syncytia formation, which shows KTE1 with EC50 47.95 µM and Selectivity Index (SI) of >4.17 and for inhibition of p24 antigen production EC50 was found to be 80.02 µM and SI of >2.49. The compounds were also evaluated for their in-vitro anti-tubercular activity against M. tuberculosis H37Rv, in which KTE1 MIC values of 12.5µg/ml with SI of >4.0 and cytotoxicity against Vero cell lines. In-silico predicted physicochemical parameters for synthesized compounds which were found to be drug-like. Furthermore, docking has shown a good dock score and binding energy with anti-HIV and anti-tubercular receptors. CONCLUSION: From the novel synthesized molecules, none of the molecule is as effective as standards for anti-HIV and anti-tubercular drugs and hence can be further explored for its potential activities. Furthermore, derivatization was made to achieve more potent compounds for anti-HIV and anti-tubercular drugs.

Chitosan-Strontium Oxide Nanocomposite: Preparation, Characterization, and Catalytic Potency in Thiadiazoles Synthesis.

Recently, Strontium oxide (SrO) nanoparticles (NPs) and hybrids outperformed older commercial catalysts in terms of catalytic performance. Herein, we present a microwave-assisted easy in situ solution casting approach for the manufacture of strontium oxide nanoparticles doped within a naturally occurring polymer, chitosan (CS), at varying weight percentages (2.5, 5, 10, 15, and 20 wt.% SrO/chitosan). To construct the new hybrid material as a thin film, the produced nanocomposite solutions were cast in petri dishes. The aim of the research was to synthesize these hybrid nanocomposites, characterize them, and evaluate their catalytic potential in a variety of organic processes. The strontium oxide-chitosan nanocomposites were characterized using Fourier transform infrared (FTIR), X-ray diffraction (XRD), and scanning electron microscope (SEM) techniques. All the results confirmed the formation of chitosan-strontium oxide nanocomposite. FTIR spectrum of nanocomposite showed the presence of a characteristic peak of Sr-O bond. Furthermore, XRD revealed that SrO treatment increased the crystallinity of chitosan. The particle size was calculated using the Debye-Scherrer formula, and it was determined to be around 36 nm. The CS-SrO nanocomposite has been proven to be a highly efficient base promoter for the synthesis of 2-hydrazono [1,3,4]thiadiazole derivatives. To optimize the catalytic method, the reaction factors were investigated. The approach has various advantages, including higher reaction yields, shorter reaction durations, and milder reaction conditions, as well as the catalyst's reusability for several applications.