Supplementary material: Chemical structures and estimated docking scores; Toxicity reports; Estimated docking scores; Values of molecular docking of nine conformations. from Identification of promising anti-EBOV inhibitors: de novo drug design, molecular docking and molecular dynamics studies

Autor:	Mohamed, Eslam A. R., Abdelwahab, Sayed F., Alqaisi, Ahmad M., Nasr, Amaal Mohammed Salih, Hassan, Heba Ali
Rok vydání:	2022
DOI:	10.6084/m9.figshare.21114320
Popis:	Fig. S1: Chemical structures of BCX4430 and the studied one hundred compounds and Estimated docking scores (in kcal/mol) for BCX4430 and the retrieved drugs against EBOVVP24. Fig. S2: Toxicity reports for BCX4430 and two molecules under study. Table S1: Estimated docking scores (in kcal/mol) for BCX4430 and the retrieved drugs against EBOVVP24. Table S2: Values of molecular docking of nine conformations (in kcal/mol) for BCX4430 and best ten anti-EBOVVP24.
Databáze:	OpenAIRE
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