The global spread of multi-resistant pathogenic microorganisms has significantly complicated the treatment of chronic wounds. The development of novel drugs requires a substantial time investment. Hybrid materials such as nanoparticles stabilized by plant extracts are considered the best for creating efficient antiseptic substances. This paper is the first to discuss quantitative and qualitative analyses of the phytochemical constituents of the medicinal plant Artemisia terrae-albae, collected in Kazakhstan. The antimicrobial activity of the extracts, as well as of silver nanoparticles (AgNPs) stabilized by Artemisia terrae-albae extract, were evaluated. AgNPs were characterized by an average size of 82 nm or larger with a negative surface charge. TEM analysis of the obtained suspension showed a nonuniform structure of particles synthesized at a low concentration of ethyl acetate solvent in water. The SPR peak of AgNPs@Art aq. extract was detected at 420 nm, while any clear SPR peak was observed for AgNPs@Art ethylacetate extract. Diluted Artemisia terrae-albae extracts did not exhibit pronounced antimicrobial activity due to the poor solubility of compounds in water. Nevertheless, the AgNPs@Art aq. and AgNPs@Art EtAc. extracts possessed antimicrobial activity against the Pseudomonas aeruginosa ATCC 9027, Staphylococcus aureus ATCC 6538, Escherichia coli (ATCC 8739), and Candida albicans ATCC 10231 strains.

This review examines the emerging role of machine learning (ML) in pharmaceutical chemistry, with emphasis on molecular design, synthetic feasibility, and structure–property–performance (SPP) relationships. By enabling pre-synthesis prediction of physicochemical properties, reaction pathways, and pharmaceutical performance, ML can reduce empirical trial-and-error experimentation and support more efficient exploration of chemical space. A structured narrative review design with PRISMA-aligned systematic search elements was used to evaluate 101 studies, enabling transparent literature identification, eligibility screening, and thematic synthesis across heterogeneous ML applications in pharmaceutical chemistry. This review examines structure–property relationships (SPRs) and property–performance relationships (PPRs), with emphasis on key pharmaceutical endpoints such as solubility, permeability, stability, dissolution, and bioavailability. An integrated SPP framework is proposed to connect molecular structure, intermediate properties, and final performance outcomes while incorporating retrosynthetic analysis and experimental feedback and closed-loop optimization. Recent frontier developments are also discussed, including molecular foundation models, multimodal language–graph models, diffusion-based molecular generation, E(3)-equivariant models, and MolMIM-like latent-space optimization. This review also covers co-folding and joint ligand–protein modeling, Boltz-2-like affinity prediction, AlphaFold 3-related biomolecular interaction modeling, and absorption, distribution, metabolism, excretion, and toxicity (ADMET) prediction. Key limitations include dataset leakage, benchmark inconsistency, assay variability, conformational and protonation-state effects, reproducibility challenges, regulatory constraints, and the gap between computational prediction and prospective experimental validation. Future progress is expected to depend on hybrid physics–ML models, uncertainty-aware prospective validation, autonomous experimentation, explainable artificial intelligence, and sustainability-aware molecular design. Overall, ML is evolving from a predictive tool into a chemically informed decision-support framework for rational, synthesis-aware, and experimentally validated pharmaceutical development.

A phytopreparation based on the CO₂ extract of Arctium tomentosum Mill. root (AT) was evaluated for its safety and anti-inflammatory potential in Swiss albino mice. Acute and 28-day subacute oral toxicity studies demonstrated that AT, at doses up to 5000 mg/kg (acute) and 400 mg/kg (subacute), did not induce mortality, clinical signs of toxicity, or adverse effects on body weight, relative organ weights, or hematological and biochemical parameters. Histopathological analyses confirmed preserved tissue architecture in major organs, indicating the absence of structural toxicity. Anti-inflammatory activity was assessed using xylene-induced ear edema and LPS-induced systemic inflammation models. AT significantly reduced ear edema and suppressed the production of pro-inflammatory cytokines (TNF-α, IL-6, and IL-1β) in a dose-dependent manner. Additionally, AT exhibited potent hepatoprotective and nephroprotective effects, as reflected by the stabilization of ALT, AST, SCr, and BUN levels. Histological examination of inflamed tissues corroborated these findings. Overall, AT is well tolerated and demonstrates potent systemic anti-inflammatory and multi-organ protective properties, supporting its potential as a promising therapeutic candidate for inflammatory and oxidative stress-related conditions.

Зерттеудің мақсаты. Galega officinalis L. өсімдігінің n-бутанолдық фракциясын табиғи тотықсыздандырғыш және тұрақтандырғыш ретінде пайдаланып, күміс нанобөлшектерін жасыл әдіспен синтездеу, олардың физика-химиялық сипаттамалары мен биологиялық белсенділігін бағалау болды. Синтез үшін фракцияның 0,3 г мөлшері pH 9,0 және 90 °C жағдайында 1%- дық AgNO₃ ерітіндісінің 300 мл көлемімен әрекеттестірілді. Алынған материал ультракүлгін-көрінетін спектроскопия (UV–Vis), Фурье түрлендірулі инфрақызыл спектроскопия (FTIR), сканерлеуші электрондық микроскопия (СЭМ) және энергия-дисперсиялық рентгендік спектроскопия (EDS) әдістерімен сипатталды. UV–Vis спектрінде 460 нм-де беттік плазмондық резонанс жолағы тіркелді. СЭМ микрофотосуреттеріндегі 100 бөлшекті талдау олардың негізінен сфералық пішінді, өлшемдері 46–187 нм және орташа өлшемі шамамен 99 нм екенін көрсетті. EDS нәтижелері күмістің басым элемент екенін және оның мөлшері 77,74 мас.% құрайтынын анықтады. FTIR деректері органикалық компоненттердің қатысуын көрсетті. Синтезделген үлгі ақуыз денатурациясын 58,50%-ға тежеп, 1% және 10% концентрацияларда тиісінше 54,68% және 59,03% мембрананы тұрақтандырушы белсенділік көрсетті. Микробқа қарсы сынақта өсу тежелу аймақтары Escherichia coli үшін 14,17 ± 1,07 мм, Staphylococcus aureus үшін 11,0 ± 0,0 мм және Candida albicans үшін 7,83 ± 0,76 мм болды; Pseudomonas aeruginosa-ға қарсы әсер байқалмады. Нәтижелер G. officinalis өсімдігінің n-бутанолдық фракциясын биологиялық белсенді, құрамында күміс бар наноөлшемді бөлшектер алуда қолдану мүмкіндігін көрсетеді. Металдық Ag⁰ кристалдық фазасын растау және жекелеген компоненттердің үлесін анықтау үшін рентгенфазалық және бақылау зерттеулері қажет.

This article presents the results of qualitative and quantitative analysis of whole and germinated (damaged) seeds of wheat variety «Kanadskaya». An extract was obtained from germinated (damaged) wheat grain by supercritical fluid CO2-extraction. According to the results of phytochemical analysis, carbohydrates, amino acids, flavonoids, and fatty acids were detected in the composition of CO2-extract. Using gas chromatography method, the extract was found to contain 14 fatty acids, most of which were methyl myristate (42,57%), methyl decanoate (25,85%), methyl ester of cis-10-pentadecenoic acid (16,80%) and methyl palmitate (7,35%). No significant difference was observed in the extract obtained from the damaged variety of wheat «Kanadskaya» in comparison with CO2-extract obtained from pure whole grain of wheat «Uralosibirskaya 2». Only the amount of methyl laurate was 4 times less, methyl stearate – 12 times less, methyl ester of cis-10-heptadecenoic acid – 3 times less. On the contrary, in the CO2-extract obtained from damaged wheat, the amount of methyldecanoate was higher by 4,48% and methyl ester of cis-10-pentadecenoic acid by 14,52%. In addition, methylundecanoate, methyl palmitate and methyl behenate of saturated fatty acids were found in this extract, which were not present in the CO2-extract obtained from pure whole wheat grain «Uralosibirskaya 2». It should also be noted that representatives of unsaturated fatty acids were detected in the CO2-extract obtained from the damaged variety of wheat «Kanadskaya». In total, their share amounted to 19,7%. According to the results of capillary electrophoresis, the proportion of vitamin B1 from B vitamins was higher and amounted to 0,13±0,03 mg/100 g; however, compared to the normal amount, this figure was 3 times lower. The proportion of amino acids was also very low, with phenylalanine content being slightly more dominant at 0,098%. Vitamin E content (0,72 mg/100 g) was determined by high-performance liquid chromatography, while vitamin A was absent in the extract.