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. 2023 May 8;24(9):8454. doi: 10.3390/ijms24098454

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© 2023 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).

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Crystallographic grids of the generated ligands (Co1–Co10), shown in (a–j), respectively, as well as the tested sartans (valsartan, olmesartan, eprosartan, losartan) in (k–n), incorporated into the cavity of the SARS-CoV-2 spike protein (PDB ID: 6LZG) of SARS-CoV-2 using a crystallographic grid. Of paramount importance is the hydrogen bonding of the tetrazolate with the amino acids. Namely Co4 (d) forms hydrogen bonds with Ser 44, Asp 350, Asn 394, and Lys 562, Co6 (f) with Glu 37, Lys 353, Gly 354, Arg 403, Gly 496, and Tyr 505, Co8 (h) with His 34, Arg 403, Glu 406, and Arg 559, Co10 (j) with Ser 44, Asp 350, Asn 394, and Lys 562.

Crystallographic grids of the generated ligands (Co1–Co10), shown in (a–j), respectively, as well as the tested sartans (valsartan, olmesartan, eprosartan, losartan) in (k–n), incorporated into the cavity of the SARS-CoV-2 spike protein (PDB ID: 6LZG) of SARS-CoV-2 using a crystallographic grid. Of paramount importance is the hydrogen bonding of the tetrazolate with the amino acids. Namely Co4 (d) forms hydrogen bonds with Ser 44, Asp 350, Asn 394, and Lys 562, Co6 (f) with Glu 37, Lys 353, Gly 354, Arg 403, Gly 496, and Tyr 505, Co8 (h) with His 34, Arg 403, Glu 406, and Arg 559, Co10 (j) with Ser 44, Asp 350, Asn 394, and Lys 562.