Structure‐ and Interaction‐Based Design of Anti‐SARS‐CoV‐2 Aptamers

• Published in: Chemistry : a European journal Vol. 28; no. 12; pp. e202104481 - n/a
• Main Authors: Mironov, Vladimir, Shchugoreva, Irina A., Artyushenko, Polina V., Morozov, Dmitry, Borbone, Nicola, Oliviero, Giorgia, Zamay, Tatiana N., Moryachkov, Roman V., Kolovskaya, Olga S., Lukyanenko, Kirill A., Song, Yangling, Merkuleva, Iuliia A., Zabluda, Vladimir N., Peters, Georgy, Koroleva, Lyudmila S., Veprintsev, Dmitry V., Glazyrin, Yury E., Volosnikova, Ekaterina A., Belenkaya, Svetlana V., Esina, Tatiana I., Isaeva, Anastasiya A., Nesmeyanova, Valentina S., Shanshin, Daniil V., Berlina, Anna N., Komova, Nadezhda S., Svetlichnyi, Valery A., Silnikov, Vladimir N., Shcherbakov, Dmitriy N., Zamay, Galina S., Zamay, Sergey S., Smolyarova, Tatyana, Tikhonova, Elena P., Chen, Kelvin H. -C., Jeng, U-Ser, Condorelli, Gerolama, de Franciscis, Vittorio, Groenhof, Gerrit, Yang, Chaoyong, Moskovsky, Alexander A., Fedorov, Dmitri G., Tomilin, Felix N., Tan, Weihong, Alexeev, Yuri, Berezovski, Maxim V., Kichkailo, Anna S
• Format: Journal Article
• Language: English
• Published: Germany Wiley 24.02.2022; Wiley Subscription Services, Inc; Wiley Blackwell (John Wiley & Sons); John Wiley and Sons Inc
• Subjects: 60 APPLIED LIFE SCIENCES; Affinity; Aptamers; aptamers, fragment molecular orbitals method, molecular dynamics, SARS-CoV-2, SAXS; Aptamers, Nucleotide; Aptamers, Nucleotide - chemistry; Binding; Chemistry; Computer applications; COVID-19; Cytometry; Design; DNA probes; Drug development; Fluorescence; Fluorescence polarization; fragment molecular orbitals method; Humans; Iterative methods; laskennallinen kemia; lääkesuunnittelu; Molecular docking; Molecular Docking Simulation; Molecular dynamics; Molecular Dynamics Simulation; Molecular modelling; Molecular structure; molekyylidynamiikka; Mutagenesis; Nucleic acids; oligonukleotidit; proteiinit; Protein structure; Proteins; SARS-CoV-2; SARS-CoV-2, белки; SARS-CoV-2-virus; SAXS; SELEX Aptamer Technique; Severe acute respiratory syndrome; Severe acute respiratory syndrome coronavirus 2; Spike Glycoprotein, Coronavirus; Spike protein; Tertiary structure; Three dimensional models; дизайн аптамеров; fragment molecular orbitals method; SARS-CoV-2; molecular dynamics; aptamers; SAXS

Aptamer selection against novel infections is a complicated and time‐consuming approach. Synergy can be achieved by using computational methods together with experimental procedures. This study aims to develop a reliable methodology for a rational aptamer in silico et vitro design. The new approach...