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. 2022 May 11;14(5):1029. doi: 10.3390/v14051029

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© 2022 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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Intermolecular interactions between AT₁R and the ARB, Olmesartan. (A) Explanatory graph depicting the hydrogen bond interaction between AT₁R Tyr35 hydroxyl with Olmesartan imidazole nitrogen. (B) Interactions of AT₁R residues K199, R167, W84, Y35 with olmesartan from crystal protein bank [45,46]. Note. ARBs may be inhibitors of SARS-CoV-2 and ACE2 binding through strong interactions between negatively charged tetrazolate and carboxylate with polybasic arginines cavity loop 681–686 S protein RBD of SARS-CoV-2. (C) Tyrosine (Tyr), histidine (His), and phenylalanine (Phe) aromatic side chains and c-terminal carboxylate are intra connected to create a cyclic compact structure that triggers activity through Tyr hydroxylate. (D) His and asparagine (Asp) carboxylate in serine proteases are intra connected to create the CRS in serine proteases. (E) Explanatory graph depicting inter molecular interactions between EXP3174 negative groups histidine carboxylate and biphenyl tetrazolate with positively charged AT₁R residue arginine 167. Tyr35 hydroxylate of AT₁R interacts with biphenyl imidazole nitrogen. (F) Explanatory graph depicting intra molecular interactions between AngII with AT₁R167 and Tyr35. Note: The interactions between AT₁R Arg167 with His carboxylate and biphenyl tetrazolate can occur in silico between SARS-CoV-2 basic loop Args with carboxylate and tetrazolate of ARBs.

Intermolecular interactions between AT₁R and the ARB, Olmesartan. (A) Explanatory graph depicting the hydrogen bond interaction between AT₁R Tyr35 hydroxyl with Olmesartan imidazole nitrogen. (B) Interactions of AT₁R residues K199, R167, W84, Y35 with olmesartan from crystal protein bank [45,46]. Note. ARBs may be inhibitors of SARS-CoV-2 and ACE2 binding through strong interactions between negatively charged tetrazolate and carboxylate with polybasic arginines cavity loop 681–686 S protein RBD of SARS-CoV-2. (C) Tyrosine (Tyr), histidine (His), and phenylalanine (Phe) aromatic side chains and c-terminal carboxylate are intra connected to create a cyclic compact structure that triggers activity through Tyr hydroxylate. (D) His and asparagine (Asp) carboxylate in serine proteases are intra connected to create the CRS in serine proteases. (E) Explanatory graph depicting inter molecular interactions between EXP3174 negative groups histidine carboxylate and biphenyl tetrazolate with positively charged AT₁R residue arginine 167. Tyr35 hydroxylate of AT₁R interacts with biphenyl imidazole nitrogen. (F) Explanatory graph depicting intra molecular interactions between AngII with AT₁R167 and Tyr35. Note: The interactions between AT₁R Arg167 with His carboxylate and biphenyl tetrazolate can occur in silico between SARS-CoV-2 basic loop Args with carboxylate and tetrazolate of ARBs.