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Beni-Suef University Journal of Basic and Applied Sciences

Table 2 Hydrogen (H2) bonds and interacting amino acid residues between the compounds and SARS-CoV-2 spike protein

From: Interaction of SARS-CoV-2 spike protein with angiotensin converting enzyme inhibitors and selected compounds from the chemical entities of biological interest

Compounds

Number of H2 bonds

Bond length (A0)

Interacting AA residues

Fosinopril

0

  

Fosinopril (1-)

2

2.76, 2.41

His1058, Gln853

Moexipril

1

2.57

His1058

Novacine

1

1.91

Ser591

Stilben-4-ol

0

  

Cudraflavone

1

2.13

Val608

Artocarpin

2

1.81, 2.31

Arg1107

Papyriflavonol

3

2.32, 2.39, 2.50

Asp796, Ile896, Phe898

7-hydroxyflavone

1

2.9

Tyr160

Primetin

1

1.93

Thr778

Scutellarein

4

2.11, 2.19, 2.25, 2.76

Lys733, Gln774, Thr778

Quercetagetin

5

2.36, 2.35, 2.84, 2.61, 2.67

Phe342, Asn343, Ser373, Ser375, Arg509

Robinetin

1

2.41

Ala123

Violanthin

2

2.15, 2.21

Ser591, Phe592

Isoharmnetin-3-o-rutinoside

4

1.93, 2.15, 2.41, 2.57

Phe59, Thr29, Ser60

Cirsilineol

2

2.28, 2.65

Ser730, Pro1057

Tectochrysin

2

2.17, 2.46

Thr778, Lys733

Frutinone A

2

2.52, 3.03

Leu223, Ile285

Narirutin

2

2.10, 2.77

Leu828, Ala956

Pelargonidine-3-O-rutinoside betaine

2

1.91, 2.03

Phe823, Asn824

Rediocide A

2

2.42, 2.88

Ala713, Tyr1047

Phytolaccoside B

2

2.29, 2.52

Gln564, Phe565

Mesulergine

0

  

Hapalindole

1

2.85

Met731

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