In silico evidence of Remdesivir action in blood coagulation cascade modulation in COVID-19 treatment

doi:10.4331/wjbc.v14.i4.72

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Jul 27, 2023 (publication date) through Jul 28, 2024

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World Journal of Biological Chemistry

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1949-8454

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World J Biol Chem. Jul 27, 2023; 14(4): 72-83
Published online Jul 27, 2023. doi: 10.4331/wjbc.v14.i4.72

Table 4 Binding characteristics of Remdesivir/Factor II and Remdesivir/Factor VII complexes

Complex	Interaction¹	Distance (Å)	Bond type
Remdesivir/Factor II II (protrombin)	O-23: GLY-548	2	Hydrogen bond
	O-3: GLY-548	3.2	Hydrogen bond
	N-15: ASN-463	2.6	Hydrogen bond
	O-35: SER-525	2.4	Hydrogen bond
	O-35: HIS-363	2.6	Hydrogen bond
	O-3: GLY-550	2	Hydrogen bond
Remdesivir/Factor VII (Proconvertin)	O-3: ASP-60	3.5	Hydrogen bond
	O-3: THR-98	3.1	Hydrogen bond
	O-2: THR-98	3.6	Hydrogen bond
	O-2: GLY-97	3.2	Hydrogen bond
	N-17: GLY-216	3.1	Hydrogen bond

¹Remdesivir: Residue. O: Oxygen; N: Nitrogen; ASP: Aspartate; ASN: Asparagine; THR: Threonine; SER: Serine; HIS: Histidine; GLY: Glycine.

Citation: Pagliarin LG, de Oliveira LM, dos Anjos VNF, de Souza CBT, Peiter GC, Façanha Wendel C, Dillmann Groto A, Freire de Melo F, Teixeira KN. In silico evidence of Remdesivir action in blood coagulation cascade modulation in COVID-19 treatment. World J Biol Chem 2023; 14(4): 72-83
URL: https://www.wjgnet.com/1949-8454/full/v14/i4/72.htm
DOI: https://dx.doi.org/10.4331/wjbc.v14.i4.72