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Pharmacokinetics and Pharmacodynamics

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No 2 (2026)
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MEDICAL CHEMISTRY

3-16 60
Abstract

Background. Parkinson’s disease has a multifactorial pathogenesis involving glutamate excitotoxicity, oxidative stress, neuroinflammation, and dysregulation of neurotransmitter systems. Therefore, the development of multitarget compounds capable of interacting with several pathogenetically relevant targets is a promising research direction.

Objective. Evaluation of the interaction of the hybrid molecule ADK-1113, designed on the basis of structural fragments of fabomotizole and memantine, with σ₁, NMDA, and AMPA receptors using molecular modeling methods.

Methods. Molecular docking of ADK-1113 was performed using the structures of σ₁-, NMDA-, and AMPA-receptors, followed by molecular dynamics (MD) simulations of the resulting complexes. Binding stability was assessed based on ligand retention within the binding site, root mean square deviation (RMSD) values, the pattern of noncovalent interactions, and binding free energy calculated using the MM/PBSA method (Molecular Mechanics/Poisson–Boltzmann Surface Area).

Results. ADK-1113 bound to all studied receptors and remained within their binding sites during molecular dynamics simulations. The most stable complex was observed for the σ₁-receptor, which was consistent with the most negative binding free energy values obtained by MM/PBSA. The complex with the NMDA-receptor showed intermediate stability, whereas the least favorable binding energy values were obtained for the AMPA-receptor.

Conclusion. The obtained data indicate the potential multitarget activity of ADK-1113 and its ability to interact with several components of neurotransmitter systems. The results of in silico modeling require further experimental confirmation.

PHARMACEUTICAL CHEMISTRY, PHARMACOGNOSY

17-29 51
Abstract

Introduction. For the introduction into medical practice of the new original compound codenamed GIZH-298, which exhibits pronounced anticonvulsant activity in in vivo experiments, comprehensive pharmaceutical development is required. One of its key stages ensuring the quality, safety, and efficacy of the future drug product is the development of methods for the related substances control.

Objective. Development and validation of a related substances determination method for the new original anticonvulsant compound GIZH-298 substance by HPLC-UV.

Materials and methods. The studies were performed on pilot samples of the GIZH-298 substance, as well as on the starting, intermediate, and byproducts of its synthesis. Chromatographic separation was carried out on an Infinity 1260 liquid chromatograph (Agilent Technologies, USA) equipped with a variable wavelength spectrophotometric detector, using Agilent OpenLAB CDS ChemStation software. Stress studies to assess specificity were conducted under exposure to 0.1 M HCl, 0.1 M NaOH, 3 % H₂O₂, as well as under light exposure in an ATLAS SUNTEST CPS+ chamber with an ATLAS SunCool cooling system (ATLAS MTT, USA).

Results. A related substances determination method in the GIZH-298 substance by HPLC-UV was developed using a BDS Hypersil C18 column (250 mm × 4.6 mm, 5 μm, Agilent Technologies, USA). Mobile phase: 0.02 M dipotassium hydrogen phosphate solution (pH 7.45±0.05), acetonitrile and methanol (250:100:100). Validated covered specificity, linearity, detection limit, quantitation limit, accuracy, and precision (repeatability). The method detects known process-related impurities at the level of 0.05 % and below, as well as impurities formed during hydrolysis, oxidation, and photodegradation.

Conclusions. The developed method is suitable for assessing related substances in the GIZH-298 pharmaceutical substance and its drug products.

SCREENING FOR NEW PHARMACOLOGICALLY ACTIVE COMPOUNDS

30-36 57
Abstract

Background. The search for new antiviral compounds is a priority due to growing pathogen resistance. Phosphonates, characterized by a stable carbon–phosphorus bond, represent a promising class of organophosphorus derivatives. However, data on the antiviral activity of newly synthesized phosphonates against alphaherpesviruses remain limited.

Objective. To evaluate the cytotoxicity and antiviral activity of five novel phosphonates (SAN-1, SAN-2, SAN-3, SAN-4, and DII-C2) against pseudorabies virus (SuHV-1) in Vero cell culture.

Methods. The infectious virus titer was determined using the Reed–Muench method. Cytotoxicity was assessed by visual microscopy and quantitative MTT assay after 72 h of incubation. Antiviral activity was evaluated by measuring the reduction of virus-induced cytopathic effect (CPE) and calculating virus titer reduction (log₁₀ TCID₅₀/mL) using the Spearman–Kärber method. All compounds were tested at a concentration range of 100–0.0001 μg/mL.

Results. The SuHV-1 virus titer was 7.08±0.17 lg TCID₅₀/mL, confirming its suitability for screening. None of the tested phosphonates exhibited cytotoxicity at concentrations up to 100 μg/mL, with cell viability ranging from 92 to 96 % relative to untreated controls. Four compounds (SAN 2, SAN 3, SAN 4, and DII C2) showed pronounced antiviral activity, providing 72–82.5 % cell protection and reducing virus titers by 2.25–2.63 log₁₀. SAN 1 demonstrated weak activity (20 % protection). The highest efficacy was observed for DII C2 (82.5 % protection).

Conclusion. SAN 2, SAN 3, SAN 4, and DII C2 exhibit low cytotoxicity and significant anti SuHV 1 activity in vitro. These compounds are promising candidates for further preclinical studies as potential antiviral agents.

NEW DRUGS DISCOVERY

37-44 54
Abstract

Introduction. Matrix metalloproteinases (MMPs) belong to the family of zinc-dependent endopeptidases capable of degrading the main components of extracellular matrix proteins that form the basis of connective tissue; they are also involved in many pathological processes in the body. MMP-2 is actively expressed in lung cancer tissues, while MMP-2 and MMP-9 play a significant role in the development of colorectal cancer.

Objective. To evaluate the effect of 1-({4-[(2,4-dichlorobenzoyl)amino]phenyl}sulfonyl-(2S,4R)-4-hydroxypyrrolidine-2 carboxylic acid (GGM-27) on tumor growth and survival in BALB/c mice using the AKATOL colon adenocarcinoma model.

Materials and methods. AKATOL colon adenocarcinoma was implanted subcutaneously into the axillary region of male BALB/c mice at a dose of 1×10⁶ cells. From day 2 to day 15 of tumor development, GGM-27 was administered intraperitoneally (i.p.) at doses of 1 mg/kg and 10 mg/kg. Doxorubicin was used as a reference drug, administered at a dose of 5 mg/kg i.p. on days 2 and 4 of tumor development. The antitumor activity of GGM-27 was assessed by tumor growth inhibition (TGI) and lifespan extension (LSE).

Results. After a 14-day course of i.p. administration of GGM-27 at a dose of 1 mg/kg, TGI was 72.8 % on day 21 of the experiment and 71 % on day 28. After i.p. administration of GGM-27 at a dose of 10 mg/kg, TGI was 63 % on day 21 and 56% on day 28. LSE after a course of GGM-27 at a dose of 10 mg/kg was 24 %. After two i.p. administrations of doxorubicin at a dose of 5 mg/kg, TGI was 82 % on day 21 and 69 % on day 28; however, two of the 12 animals died due to drug toxicity.

Conclusions. Administration of 1-({4-[(2,4-dichlorobenzoyl)amino]phenyl}sulfonyl-(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid at a dose of 1 mg/kg caused TGI. On day 21 of the experiment, with GGM-27 administration, TGI was 73 %, and on day 28, TGI was 71 %.

45-58 54
Abstract

Introduction. Neurotrophin-3 (NT-3), like other proteins of the neurotrophin family, plays an important role in maintaining the homeostasis of the nervous system, and disorders of its signaling are associated with a wide range of neurological and psychiatric diseases. It is possible to overcome the limitations of the clinical use of NT-3 (low bioavailability, risk of side effects) by creating pharmacologically suitable low molecular weight mimetics.

Purpose. To design and synthesize a new potential dipeptide mimetic of the 4th loop of NT-3 hexamethylenediamide <i>bis-(N</i>-monoglutaryl-L-asparaginyl-L-asparagine), and to synthesize its enantiomer, in order to study their biological activity and identify its specificity.

Materials and methods. The compounds were obtained by classical peptide synthesis methods in solution using the Boc strategy of protective groups and the method of activated pentafluorophenyl esters. The structure and diastereomeric purity of the target peptides and intermediates were established using one-dimensional 1Н, 13С and two-dimensional NMR spectroscopy. Chromatographic homogeneity was determined using TLC and RP HPLC. The target dipeptides were characterized by the specific optical rotation angle ([α]D).

Results. A seven-step synthesis scheme for the L,L- and D,D-enantiomers of hexamethylenediamide bis-(N-monoglutaryl-asparaginyl-asparagine) (GTS-304LL, GTS-304DD) was proposed. The target dipeptides were obtained using this scheme with an overall yield of 37–38 % and a chromatographic purity of 97–99 %.

Conclusions. New substituted asparagine-containing dipeptides, potential neurotrophin-3 mimetics, were obtained. The compounds were characterized for further study of their biological activity.

PRECLINICAL PHARMACODYNAMICS STUDIES

59-66 65
Abstract

Background. Postnatal administration of propionic acid (PPA) to rats during the period of active neural network maturation models persistent behavioral disorders characteristic of autism spectrum disorders (ASD). Fabomotizole, which has a multifactorial mechanism of action (sigma-1 receptor activation, modulation of GABAergic and glutamatergic transmission), may have a corrective effect on these disorders.

Objective. To study the effect of fabomotizole on behavioral disorders in Wistar rats with an ASD model induced by postnatal PPA administration.

Methods. ASD was modeled in male Wistar rats by subcutaneous injections of PPA at a dose of 500 mg/kg on postnatal days 21–25 (P21–P25). Fabomotizole (10 mg/kg) was administered orally daily from P26 until the end of the experiment. Between P52 and P85, social behavior (Pair Test), stereotypy (Autogrooming), anxiety (Open Field Test, Elevated Plus Maze), exploratory activity (Hole Board Test), cognitive functions (Y-maze), and response to aversive odor were assessed.

Results. Postnatal PPA administration caused persistent impairments: social deficit (4.3-fold decrease in communicative acts, 26-fold increase in aggression), stereotypy (6.4-fold increase in grooming duration), anxiety (4.4-fold decrease in time spent in open arms), cognitive deficit (2.2-fold decrease in Y-maze patrolling efficiency), and disrupted species-specific behavior. Fabomotizole corrected the PPA-induced impairments: normalized social behavior (4.6-fold increase in communicative acts, 10.5-fold decrease in aggression), reduced stereotypy (5.5-fold decrease in grooming duration), exerted an anxiolytic effect (8.5-fold increase in time spent in open arms), and improved cognitive functions (2.7-fold increase in patrolling efficiency).

Conclusion. Fabomotizole at a dose of 10 mg/kg with long-term oral administration attenuates the main behavioral disorders in rats with the postnatal PPAinduced ASD model, confirming its therapeutic potential against persistent symptoms of autism spectrum disorder.

67-72 57
Abstract

Introduction. As a screening result in a number of alkoxyphenyltriazoalkanes, the compound ALM-802, which in the form of its trihydrochloride has pronounced antiarrhythmic and antiischemic activity, was identified at the Federal State Budgetary Scientific Institution «Federal Research Center for Innovator and Emerging Biomedical and Pharmaceutical Technologies». However, the pH of the aqueous solution of this salt is quite low – 3.5, – which does not exclude the possibility of some local irritant activity in injectable dosage forms of the compound. Therefore, the succinate and citrate of compound ALM-802 – ALM-802S and ALM-802C, respectively, – were synthesized. The pH of the aqueous solutions of these compounds is significantly closer to neutral (ALM-802S – 5.8 and ALM-802C – 5.55), which does not suggest their local irritant activity, suggesting no local irritancy.

Objective. To study in a comparative aspect acute toxicity with a 24-hour observation period, antiarrhythmic and anti-ischemic activity of compounds ALM-802T, ALM-802S and ALM-802S.

Materials and methods. The toxicity parameters were determined on white outbred male mice, the calculation was carried out according to Finney. The antiarrhythmic activity of the compounds (2 mg/kg) was studied on a model of aconitine cardiac arrhythmias in male white rats. The anti-ischemic effect of the substances was tested on a model of acute subendocardial ischemia caused by the nonselective beta-adrenomimetic isoproterenol (20 mg/kg/min for 5 minutes). The intensity of ischemic damage was judged by the magnitude of ST segment depression on the ECG (standard lead II) 5 minutes after the start of the isoproterenol infusion.

Results. Analysis of the data obtained showed that the LD50/24 of the studied ALM-802 salts are comparable, they belong to the IV class of toxicity – low-toxic compounds. They are equally highly effective in models of aconitine heart rhythm disorders and subendocardial ischemia.

Conclusion. The ALM-802T, ALM-802S and ALM-802S compounds on the studied models do not differ in efficiency.

73-78 55
Abstract

Background. In Russia, more than 600,000 cases of cancer are diagnosed annually, with 18.9 % of cases diagnosed at stage IV. Chemotherapy is the primary treatment for patients with metastatic cancer. Cisplatin is a widely used chemotherapeutic agent; however, it exhibits significant nephrotoxicity, often leading to dose reduction or even complete discontinuation of treatment. Given this, preventing the development of cisplatin-induced acute kidney injury is crucial.

The aim of the study was to investigate the nephroprotective properties of resveratrol in cisplatin-induced acute kidney injury.

Materials and methods. The study was conducted at the Research Institute of Pharmacology of Living Systems, Belgorod National Research University, using 40 male Wistar laboratory rats weighing 250–300g. To simulate acute kidney injury, animals were administered cisplatin at a dose of 5 mg/kg intraperitoneally on days 1 and 8 of the experiment. For nephroprotection, resveratrol was administered orally daily at a dose of 4 mg/kg or 12 mg/kg for 2 weeks. Functional tests and laboratory studies were performed 14 days after the first cisplatin administration.

Results. The use of resveratrol in cisplatin-induced acute kidney injury was accompanied by pronounced dose-dependent nephroprotective effects, manifested by a decrease in plasma creatinine and urea levels, an increase in glomerular filtration rate, normalization of fractional sodium excretion, and an improvement in renal parenchymal microcirculation.

Conclusions. The results of the study demonstrate the potential of using resveratrol to prevent the development of cisplatin-induced acute kidney injury.

TOXICOLOGY STUDY

79-89 49
Abstract

Introduction. Cyclic glycine-proline has a wide range of pharmacological activities, including analgesic action. Within the framework of the concept of creating a prodrug, a linear substituted glyproline – ethyl ester of N-phenylacetylglycyl-L-proline (GZK-111) was designed and synthesized. A mandatory stage of preclinical research is to study the safety of drug candidates.

The purpose of the work is to evaluate the mutagenicity and acute toxicity of GZK-111.

Materials and methods. When assessing the ability of GZK-111 to induce gene mutations in the Ames test, S.typhimurium strains TA98, TA100, TA1535, TA1537 and combination of E.coli strains pKM101/uvrA were treated with GZK-111 at concentrations of 1.6; 8; 40; 200; 1000, and 5000 μg/ml. When assessing acute toxicity in outbred mice, GZK-111 was administered intraperitoneally once at doses of 500, 1000, 2000 and 3000 mg/kg, followed by recording the terms of development of intoxication and describing the clinical signs for 14 days. Euthanasia and post-mortem examination were performed on the 15th day.

Results. In the Ames test, GZK-111 did not exhibit mutagenicity towards the indicator strains, either with or without metabolic activation. GZK-111 did not cause the death of most experimental animals. The clinical picture of intoxication showed a reversible neurotoxic effect of GZK-111, as well as a dose-dependent decrease in body weight. In the surviving animals, the morphological picture of the internal organs did not differ from that observed in the control group.

Conclusion. Linear substituted glyproline GZK-111 showed no mutagenic activity and can be classified as a relatively harmless compound in toxicity class 6 (classification by KK Sidorov, 1973).

ТЕХНОЛОГИЯ ПРОИЗВОДСТВА ЛЕКАРСТВЕННЫХ СРЕДСТВ

90-100 50
Abstract

Development of the composition and manufacturing technology of orodispersible tablets (ODT) is becoming increasingly promising due to their applicability in pediatric and geriatric practice, including for patients with dysphagia or in the absence of water. Furthermore, the ability to ensure the absorption of the active pharmaceutical ingredient (API) through the oral mucosa, bypassing the gastrointestinal tract, opens up new opportunities for preventing the adverse effects of the acidic gastric environment and first-pass metabolism on the API. This article provides an overview of the principal methods and technologies for the production of ODT, featuring examples of the most advanced technologies, as well as the excipients employed.

101-111 58
Abstract

Background. The poor solubility of active pharmaceutical ingredients in aqueous media poses a serious challenge to drug development due to their low absolute oral bioavailability.

Objective − development of a self-emulsifying drug delivery system (SEDDS) of adamantylbromophenylamine in the form of a pre-emulsion concentrate.

Materials and methods. To develop model formulations of adamantylbromophenylamine SEDDS pre-emulsion concentrate, excipients including oils, emulsifiers (surfactants), and cosolvents were used. A (pseudo)ternary phase diagram was constructed to optimize the quantitative ratio of the model component composition of the SEDDS. The selected model formulations of the SEDDS were evaluated for their emulsification ability. A series of stability tests were also conducted for the model formulations of the SEDDS, including stability at various pH levels and dilution volumes, stability under six cycles of heating to 45±0,5 °C and cooling to 4 °C, and four cycles of freezing to −20±0,5 °C and thawing.

Results. During the study, solubilization of adamantylbromophenylamine in purified water using the SEDDS approach was achieved. The composition of liquid SEDDS adamantylbromophenylamine in the form of a pre-emulsion concentrate has been developed and optimized. It was found that the liquid SESD of adamantylbromophenylamine of the final composition is resistant to various pH of the medium and dilution volumes and remains stable after six cycles of heating to 45±0.5 °C − cooling to 4±0.5 °C and four cycles of freezing to −20±0.5 °C − thawing.

Conclusions. The composition of liquid SEDDS adamantylbromophenylamine in the form of a pre-emulsion concentrate has been developed: API: adamantylbromophenylamine − 10.0 mg; BB: Cremophor® EL − 135.0 mg; Labrafac™ PG − 15.0 mg. Based on the results of the study of the emulsification ability and stability of the developed composition, it was concluded that the further development of the composition of an oral medicinal product based on SEDDS adamantylbromophenylamine is promising.



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ISSN 2587-7836 (Print)
ISSN 2686-8830 (Online)