Artemisia herba-alba is a perennial herbaceous plant belonging to the Asteraceae family. It is used in folk medicine to treat many nervous and digestive disorders, as well as diabetes. It possesses antioxidant, antifungal and anti-inflammatory properties. The chemical composition of the organic extracts obtained from the leaves of the Syrian Artemisia herba-alba plant was analysed using a Soxhlet extraction device and three solvents with varying degrees of polarity (petroleum ether, chloroform and ethyl acetate). The chemical constituents of the three extracts were determined using GC/MS technology. In the petroleum ether extract (Ah1), 38 compounds were identified, while the chloroform extract (Ah2) contained 39 compounds, and the ethyl acetate extract (Ah3) contained 45 compounds. The most significant compounds in the Ah1 extract were longiverbenone (23.9%), heneicosane (18.2%), 3,3,6-trimethyl-1,5-heptadien-4-one (16.5%), caryophyllene oxide (5.8%), and octacosane (4.6%). In the Ah2 extract, the main constituents were dioctyl hexanedioate (13.2%), (Z,Z) 9,12-octadecadienoyl chloride (7.3%), and (-)-spathulenol (7.1%). The primary compounds in the Ah3 extract were pentanoic acid (9.5%), geranyl isovalerate (9.3%), 2-butyl-1-octanol (7.5%), and 1-heptadecene (6.4%).

While the number of AIDS-related deaths continues to rise, efforts have been made to transform the disease into a manageable chronic condition. HIV protease inhibitors have become central to combination therapy. As a result, these inhibitors have become a major focus of anti-HIV drug development. This research takes a data-driven approach to drug development through the use of quantitative structure-activity relationship (QSAR) analysis. A dataset of 450 anti-HIV drugs was used to construct and validate models. Using extensive validation methods and various machine learning algorithms, the results clearly showed that the "ET" regression outperformed the other models (“XGB”, “LGBM”, “DT”, “RF”, “GB”, “Bag”, and “HGB”) in terms of goodness of fit, predictivity, generalizability, and model robustness. Promising compounds were subjected to molecular docking and molecular dynamics simulation, resulting in drugs with favourable pharmacokinetic and pharmacodynamic properties that consistently interact with the therapeutic target.

This short communication reports about new 5-amino-4-(1H-tetrazol-5-yl)-1,3-oxazoles which were synthesized by [3+2] cycloaddition of 2-R-5-amino-1,3-oxazole-4-carbonitriles and trimethylsilyl azide with dibutyltin oxide present. The reaction conditions provided high yields of the products, and were tolerant to some active functional fragments in the oxazole substituents (amino, amido, and hydroxy group). In the case of 2-((4-cyano-2-phenyloxazol-5-yl)amino)-N-methylacetamide the by-product (N-((1-(2-(methylamino)-2-oxoethyl)-1H-tetrazol-5-yl)(1H-tetrazol-5-yl)methyl)-benzamide) was formed together with the expected tetrazolyloxazole.

Batch adsorption and desorption kinetic experiments of fenitrothion on clay soil and sandy clay loam soil indicated that the equilibration time was approximately 30 hours. The kinetics of adsorption and desorption exhibited two distinct stages: a rapid process in the initial stages followed by a slow process. The pseudo-first-order model followed by the Elovich kinetic model fit the experimental adsorption and desorption data quite well, with high values of R2 and low values of ∆qe% and SSE. Accordingly, the pseudo-first-order model is most suitable for describing the adsorption and desorption kinetics of fenitrothion on clay soil and sandy clay soil. Pseudo-second-order model type-1 and type-2 models fit the experimental adsorption data; however, these models cannot be used to describe desorption kinetics. Moreover, the modified Freundlich model has limited applicability, and the intraparticle diffusion kinetic model cannot describe the kinetics of the adsorption and desorption of fenitrothion on clay and sandy clay loam soils.

Trivalent analytes such as Fe³⁺, Cr³⁺ and A^l3+ play pivotal roles in various fields including environmental monitoring, biological sensing, and industrial processes. The development of efficient and selective detection methods for trivalent species is therefore of paramount importance. In this review, we present an overview of recent advances in the recognition of trivalent analytes using simple organic chromogenic and fluorogenic probes. In this review we discuss the strategies employed for the design and synthesis of chromogenic and fluorogenic probes tailored for trivalent analytes, highlighting key structural motifs and functional groups that contribute to their recognition capabilities.

The synthesis of 4-aryl-NH-1,2,3-triazoles in good to excellent isolated yields (75-95%) has been achieved via a [3+2] cycloaddition of aromatic nitroolefins and sodium azide catalyzed by recyclable heterogeneous sulfated tin oxide (STO, 10 mol%) in toluene at 60 0C. Aliphatic nitrooefines proved to be unsuccessful partners in the present methodology.

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.