Due to their high synthetic efficiency, multi-component reactions (MCRs) have shown to be extraordinarily effective at producing compounds in a single synthetic operation. The chromeno[2,3-d] pyrimidine moieties represent important building blocks in synthetic bioactive compounds. The reaction of barbituric acid, aldehydes, and cyclohexane-1,3-diones in the presence of zinc acetate (5 mol%) under neat conditions at 70 0C, yielded a facile and one-pot synthesis of corresponding chromeno[2,3-d]pyrimidineones. Thirteen compounds containing neutral, withdrawing and electron donating groups (H, NO₂, -CN, -Cl; -OH, -CH₃ and -OCH₃) were synthesized in good, isolated yields ranging from 78-91%. The successful involvement of o-, m-, and p- substituted nitro benzaldehydes suggested that steric hindrance had no effect. All of the synthesized compounds are well-known, and this process is unique in that it makes use of zinc acetate, an accessible, low-cost Lewis acid catalyst.

A new series of Schiff bases derived from pyrazole-thiocarbohydrazide, namely (4a-d), were well-synthesized. The synthesis is carried out using monothiocarbohydrazone derivative (3), which was prepared via coupling of 5-chloro-pyrazole-4-carbaldehyde (1) with thiocarbohydrazide (2) in absolute ethanol that contains a catalytic quantity of acetic acid. The structures of newly synthesized compounds were fully clarified by various spectroscopic analyses (FT-IR, ¹H-NMR, ¹³C-NMR, and mass spectra) and elemental analysis. Also, the molecular docking was performed to investigate the binding interactions of the synthesized compounds (1, 3 and 4a-d) with COX-2 active site. The results revealed that most of them have robust hydrogen bonding networks and favorable binding energies compared to compound (4b). Understanding the anti-inflammatory behavior through understanding the specific interactions of these compounds with COX-2 will aid in the design and development of more effective inhibitors for therapeutic applications.

It has been reported that the halogen dance reaction can be used to synthesize polyfunctionalized 1,3-thiazoles. The transformation into target products was carried out by lithiation of 2-bromo-5-(1,3-dioxolan-2-yl)-1,3-thiazole with lithium diisopropylamide (LDA) followed by treatment with various electrophiles. The obtained compounds were then successfully applied to prepare novel 4,5-difunctional thiazole derivatives.

The validation of bioanalytical methods holds critical importance for regulatory agencies and organizations dedicated to ensuring the safety, efficacy, and quality of pharmaceuticals. In this context, the recent release of the ICH M10 guideline in May 2022 represents a significant milestone in standardizing bioanalytical method validation globally. However, this guideline lacks explicit experimental protocols for implementation. In this study, we address the practical implementation of the newly released ICH M10 guideline by providing a detailed validation protocol for a bioanalytical method. Our method specifically targets tiaprofenic acid, a widely used nonsteroidal anti-inflammatory drug. Tiaprofenic acid is a critical component in bioequivalence studies, underscoring the necessity for precise and accurate quantification within complex biological matrices. The integration of the accuracy profile approach, a statistical tool, enhances the significance of this work. This approach aids in assessing the accuracy and precision of bioanalytical methods, establishing confidence intervals around measured concentrations, and quantifying the level of accuracy and precision expected when using the validated method.

The global rise of life-threatening diseases, particularly breast cancer, has emerged as a grave public health challenge. Recognizing the distinct structural demands of anti-breast cancer targets, we have synthesized Thiophene-DHPMs analogs by scaffold hopping approach to exhibit versatility having the ability to target proteins targets of cancer and their interactions contingent upon the various substitutions on them. We have harnessed MCRto synthesize novel Thiophene-DHPMs (4a-4d) derivatives introducing an efficient Biginelli protocol approach. All derivatives are characterized through techniques including FTIR and ¹H NMR and evaluated by in vitro SRB assay method on MCF-7 cell line, compared against positive control ADR. Molecular docking studies against kinesin spindle protein Eg5 (1Q0B) revealed superior binding interactions and docking scores (> 8 Kcal) compared to the prototype Eg5 inhibitor Monastrol. Compound 4a binds via Hydrogen bond interaction to target Eg5 with ALA-133, PRO-137, TYR-211 In vitro evaluation of results indicates that compound 4a found to be moderately active (GI₅₀ = -4.41) compared to positive control ADR (GI₅₀ = -7.76) against MCF-7 cells. Compound 4a demonstrates significant activity due to the presence of R=C2H5, X= S, and thiophene ring.

In current paper, a novel, green, efficient and recyclable magnetic nanocatalyst (α-Fe₂O₃@MoS₂@Ni) was prepared and characterized by spectroscopic and microscopic techniques (FT-IR, XRD, SEM, EDX, TEM and VSM). α-Fe₂O₃@MoS₂@Ni magnetic nanoparticles (MNPs) were utilized for preparation of 1,2,4-triazolidine-3-thiones and spiro-triazole hybrid series. In this method, a series of triazole derivatives prepared from the reaction between thiosemicarbazide or semicarbazide with diverse isatine derivatives or various arylaldehydes and ketones at room temperature in water as solvent with great yields and short reaction times. α-Fe₂O₃@MoS₂@Ni MNPs was simply removed from the reaction mixture and was reused for five times without any notable changes in its catalytic activity.

Triazolo[3,4-b]thiadiazoles are a class of heterocyclic compounds, which have attracted great interest in medicinal chemistry owing to their wide range of pharmacological activities. A number of triazoles fused to thiadiazoles are incorporated into a wide variety of therapeutically important compounds possessing a broad spectrum of biological activities. Considering such a significant pharmacological potential, as well as wide synthetic possibilities triazolo-thiadiazoles have received considerable attention from scientific community and are extensively used for construction of prospective drug-likes molecules. In this review, we summarized the literature data about the main synthetic approaches for obtaining condensed heterocyclic compounds based on triazolo[3,4-b][1,3,4]thiadiazole scaffold as promising objects for modern bioorganic and medicinal chemistry.

Herein, modern green synthesis approaches are studied to assemble N-heterylarenes scaffolds via a non-catalyzed intramolecular 5/6-exo-dig cyclocondensation reaction based on the in-situ generation of arenehydrazonopentan-/hexan-2-one. Accordingly, the formation of two N-heteryl moieties, pyrazol-1-yl and pyridazin-1(4H)-yl, was initially studied. Therefore, appropriate fluorophenyl was first converted into their respective phenylhydrazine by SNAr reaction and then reacted with different trigonal carbonyl bielectrophiles (-CO-, -CO₂R, and -CO₂H) in ethanol in the presence of US, MW, IR, and an IR· US irradiation mixture. Cyclic nitrogenous cores were best obtained when subjected to microwave irradiation with ketone and arylhydrazine as starting reagents, allowing them to get excellent yields quickly. Arylhydrazine reactants featuring Π-donor groups underwent the best 5/6-exo-dig type annulment reaction. Presumably, the observed improvements in EDG-dependent reaction efficiency reflect changes in the nucleophilicity of arylhydrazines intermediates as α-nucleophilic reactants.

A series of new 4-(1,3,4-thiadiazol-2-yl)-containing polysubstituted pyrroles 3 a-k has been synthesized by a preparative convenient method from ethyl 5-chloro-4-formyl-1H-pyrrole-3-carboxylates 1 a-e, which were selectively transformed into the corresponding polysubstituted pyrrole-4-carboxylic acids 2 а-е using sodium hypochlorite as an oxidizer. Further, they were transformed into the target compounds with a high yield using the cyclocondensation with N-mono- or N,N-disubstituted thiosemicarbazides in the boiling phosphorus trichloroxide. As seen from the screening of antimicrobial activity, the synthesized compounds exhibit the inhibiting and bactericide activity against some bacteria and fungi. The highest activity has been established for the compounds 3 a, c, e-h, j against the strain Klebsiella pneumoniae (МІС=31.25 µg/mL). The calculated HOMO energy level proves that the compound 3 с is the most reactive ligand for the interaction with a protein receptor. The molecular docking data show that the compound 3 h has the highest affinity to the ThiM Klebsiella pneumoniae kinase.

The exponential expansion of the Internet of Things (IoT) has fundamentally transformed the way people, machines, and gadgets communicate, resulting in unparalleled levels of interconnectedness. Nevertheless, the growth of IoT has also brought up notable security obstacles, requiring the creation of strong intrusion detection systems to safeguard IoT networks against hostile actions. This study investigates the utilization of fog computing architectures in conjunction with machine learning approaches to improve the security of the IoT. The UNSW-NB15 dataset, containing an extensive range of network traffic characteristics, is used as the basis for training and assessing the machine learning models. The study specifically applies and evaluates the performance of various models, including linear regression, Ridge classifier, SGD classifier, and ensemble learning. Furthermore, the findings indicate that these models are capable of accurately identifying intrusions, with success rates of 94%, 97%, 96.60%, and 96.50%, respectively. The Ridge Classifier demonstrates exceptional accuracy, highlighting its potential for effective implementation in IoT security frameworks. The results emphasize the efficacy of combining machine learning with fog computing to tackle the distinct security obstacles faced by IoT networks. In the future, our work will prioritize optimizing these models for real-time applications, improving their scalability, and investigating more advanced ensemble strategies to enhance detection accuracy. The project intends to enhance these areas to create a comprehensive and scalable intrusion detection system that can offer strong security solutions for the growing IoT environment. This will guarantee the integrity and dependability of linked devices and systems.