Rational Design of Drugs Targeting G-Protein-Coupled Receptors: Ligand Search and Screening.

Biochemistry. Biokhimiia 2024 May

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G protein-coupled receptors (GPCRs) are transmembrane proteins that participate in many physiological processes and represent major pharmacological targets. Recent advances in structural biology of GPCRs have enabled the development of drugs based on the receptor structure (structure-based drug design, SBDD). SBDD utilizes information about the receptor-ligand complex to search for suitable compounds, thus expanding the chemical space of possible receptor ligands without the need for experimental screening. The review describes the use of structure-based virtual screening (SBVS) for GPCR ligands and approaches for the functional testing of potential drug compounds, as well as discusses recent advances and successful examples in the application of SBDD for the identification of GPCR ligands.

Citation

Aleksandra P Luginina, Andrey N Khnykin, Polina A Khorn, Olga V Moiseeva, Nadezhda A Safronova, Vladimir A Pospelov, Dmitrii E Dashevskii, Anatolii S Belousov, Valentin I Borschevskiy, Alexey V Mishin. Rational Design of Drugs Targeting G-Protein-Coupled Receptors: Ligand Search and Screening. Biochemistry. Biokhimiia. 2024 May;89(5):958-972