From Chemistry Towards Technology Step-By-Step From Chemistry Towards Technology Step-By-Step От химии к технологии шаг за шагом 2782-1900 111877 10.52957/2782-1900-2025-6-4-90-95 Научные статьи Scientific articles Научные статьи Designing the structure of new antibacterial drugs based on cephalothin Designing the structure of new antibacterial drugs based on cephalothin Подольский Даниил Дмитриевич Podolsky Daniil Dmitrievich Тимофеев Давид Александрович Timofeev David Alexandrovich Атапина Наталья Валентиновна Atapina Natalia Valentinovna rodina.natasha@inbox.ru

кандидат фармацевтических наук;

candidate of pharmaceutical sciences;

 Будаева Юлия Николаевна Budaeva Yulia Nikolaevna

кандидат химических наук;

candidate of chemical sciences;

 Сидоренко Полина Васильевна Sidorenko Polina Vasilievna Волгоградский государственный медицинский университет The Volgograd State Medical University 10 01 2026 10 01 2026 6 4 90 95 24 10 2026 21 11 2025 https://chemintech.ru/en/nauka/article/111877/view

The article presents a computer-generated modification of cephalothin sodium salt molecules with penicillin. This modification is a new structure with potential antibacterial activity. A correlation was found between pharmacological activity, pharmacokinetic parameters, and toxicological properties and the structure of the compound. The research uses the computer technologies allowing the pharmacological properties of new compounds to be modelled. The authors have proposed new structural modifications of the original molecules with improved beta-lactamase activity indicators.

The article presents a computer-generated modification of cephalothin sodium salt molecules with penicillin. This modification is a new structure with potential antibacterial activity. A correlation was found between pharmacological activity, pharmacokinetic parameters, and toxicological properties and the structure of the compound. The research uses the computer technologies allowing the pharmacological properties of new compounds to be modelled. The authors have proposed new structural modifications of the original molecules with improved beta-lactamase activity indicators.

 penicillin cephalothin cephalothin sodium salt beta-lactamase activity penicillin cephalothin cephalothin sodium salt beta-lactamase activity The study was conducted in accordance with the research plan of the Department of Chemistry at Volgograd State Medical University, Ministry of Health of the Russian Federation. The study was conducted in accordance with the research plan of the Department of Chemistry at Volgograd State Medical University, Ministry of Health of the Russian Federation.

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