Cover Feature: Structure‐ and Interaction‐Based Design of Anti‐SARS‐CoV‐2 Aptamers (Chem. Eur. J. 12/2022)

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Abstract

Digital drug design reveals DNA aptamers binding SARS‐CoV‐2: A hybrid in silico et vitro approach, structure and interaction‐based drug design, has been developed to create highly specific DNA aptamers for the receptor‐binding domain of the SARS‐CoV‐2 spike protein. The structure and binding affinity of the aptamers were validated by small‐angle X‐ray scattering, flow cytometry, and fluorescence polarization. This approach offers a blueprint for the straightforward design of targeting molecules for new pathogens and emerging variants. More information can be found in the Research Article by Y. Alexeev, M. V. Berezovski, A. S. Kichkailo, et al. (DOI: 10.1002/chem.202104481).

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Author and article information

Contributors

Dr. Yuri Alexeev: yuri@alcf.anl.gov

Prof. Maxim V. Berezovski: maxim.berezovski@uottawa.ca

Dr. Anna S. Kichkailo:

ORCID: http://orcid.org/0000-0003-1054-4629

kichkailo.as@ksc.krasn.ru

Journal

Journal ID (nlm-ta): Chemistry

Journal ID (iso-abbrev): Chemistry

Journal ID (doi): 10.1002/(ISSN)1521-3765

Journal ID (publisher-id): CHEM

Title: Chemistry (Weinheim an Der Bergstrasse, Germany)

Publisher: John Wiley and Sons Inc. (Hoboken )

ISSN (Print): 0947-6539

ISSN (Electronic): 1521-3765

Publication date (Electronic): 19 February 2022

Publication date (Print): 24 February 2022

Publication date PMC-release: 19 February 2022

Volume: 28

Issue: 12 ( doiID: 10.1002/chem.v28.12 )

Electronic Location Identifier: e202200378

Affiliations

[ ¹ ] Department of Chemistry Lomonosov Moscow State University Moscow 119991 Russia

[ ² ] Laboratory for Digital Controlled Drugs and Theranostics Federal Research Center KSC SB RAS Krasnoyarsk 660036 Russia

[ ³ ] School of Non-Ferrous Metals and Materials Science Siberian Federal University Krasnoyarsk 660041 Russia

[ ⁴ ] Laboratory for Biomolecular and Medical Technologies Krasnoyarsk State Medical University Krasnoyarsk 660022 Russia

[ ⁵ ] Nanoscience Center and Department of Chemistry University of Jyväskylä Jyväskylä 40014 Finland

[ ⁶ ] Department of Pharmacy University of Naples Federico II Naples 80138 Italy

[ ⁷ ] Department of Molecular Medicine and Medical Biotechnologies University of Naples Federico II Naples 80131 Italy

[ ⁸ ] Laboratory of Physics of Magnetic Phenomena Kirensky Institute of Physics 660012 Krasnoyarsk Russia

[ ⁹ ] School of Fundamental Biology and Biotechnology Siberian Federal University Krasnoyarsk 660041 Russia

[ ¹⁰ ] Department of Chemical Biology College of Chemistry and Chemical Engineering Xiamen University Xiamen 361005 P. R. China

[ ¹¹ ] State Research Center of Virology and Biotechnology VECTOR Rospotrebnadzor Koltsovo 630559 Russia

[ ¹² ] NRC Kurchatov Institute Moscow 117 259 Russia

[ ¹³ ] Institute of Chemical Biology and Fundamental Medicine Siberian Branch of the Russian Academy of Sciences Novosibirsk 630090 Russia

[ ¹⁴ ] Laboratory of Immunobiochemistry A.N. Bach Institute of Biochemistry Research Center of Biotechnology of the Russian Academy of Sciences Moscow Moscow 119071 Russia

[ ¹⁵ ] Laboratory of Advanced Materials and Technology Tomsk State University Tomsk 634050 Russia

[ ¹⁶ ] Altai State University Barnaul 656049 Russia

[ ¹⁷ ] Department of Molecular Electronics Federal Research Center KSC SB RAS Krasnoyarsk 660036 Russia

[ ¹⁸ ] Department of Infectious Diseases and Epidemiology Krasnoyarsk State Medical University Krasnoyarsk 660022 Russia

[ ¹⁹ ] Department of Applied Chemistry National Pingtung University Pingtung 900391 Taiwan

[ ²⁰ ] National Synchrotron Radiation Research Center Hsinchu Science Park Hsinchu 30076 Taiwan

[ ²¹ ] Institute of Genetic and Biomedical Research (IRGB) Research National Council (CNR) Milan 09042 Italy

[ ²² ] Institute of Molecular Medicine Renji Hospital Shanghai Jiao Tong University School of Medicine Shanghai 200127 P. R. China

[ ²³ ] Research Center for Computational Design of Advanced Functional Materials National Institute of Advanced Industrial Science and Technology Tsukuba 305-8560 Japan

[ ²⁴ ] College of Chemistry and Chemical Engineering Hunan University Changsha 410082 P. R. China

[ ²⁵ ] Computational Science Division Argonne National Laboratory Lemont IL, 60439 USA

[ ²⁶ ] Department of Chemistry and Biomolecular Sciences Ottawa Ontario K1N6N5 Canada

[ ²⁷ ] Department of Chemistry Kyungpook National University Daegu 702-701 South Korea

[ ²⁸ ] Department of Chemical Engineering National Tsing Hua University Hsinchu 30013 Taiwan

[ ²⁹ ] IRCCS Neuromed-Istituto Neurologico Mediterraneo Pozzilli Via Atinense 18 86077 Pozzilli Italy

Author notes

[+]

These authors contributed equally to this work.

Author information

Dr. Anna S. Kichkailo http://orcid.org/0000-0003-1054-4629

Article

Publisher ID: CHEM202200378

DOI: 10.1002/chem.202200378

PMC ID: 9086947

SO-VID: 39977b99-d9eb-4467-a276-95e36787d0a5

License:

This article is being made freely available through PubMed Central as part of the COVID-19 public health emergency response. It can be used for unrestricted research re-use and analysis in any form or by any means with acknowledgement of the original source, for the duration of the public health emergency.

History

Page count

Figures: 2, Tables: 0, References: 0, Pages: 1, Words: 0

Custom metadata

source-schema-version-number 2.0

cover-date February 24, 2022

details-of-publishers-convertor Converter:WILEY_ML3GV2_TO_JATSPMC version:6.1.5 mode:remove_FC converted:10.05.2022

ScienceOpen disciplines: Chemistry

Keywords: aptamers,fragment molecular orbitals method,molecular dynamics,sars-cov-2,saxs

Data availability:

ScienceOpen disciplines: Chemistry

Keywords: aptamers, fragment molecular orbitals method, molecular dynamics, sars-cov-2, saxs

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