New anti-SARS-CoV-2 aminoadamantane compounds as antiviral candidates for the treatment of COVID-19.

"cluster) highest score (cluster) highest score (individual) 3f2 31 56 45 52 46 16 3f3 41 29 50 37 50 83 3f4 19 50 47 62 48 03 3f5 17 84 50 06 50 37 3e10 8 92 43 24 43 92 in parallel the calculated similarity of 3f4 3f5 and 3f10 with known catl inhibitors reported in the last version of chembl are very low ( fig 6 d <40%) using three different structural fingerprints corroborating the docking studies. data availability data will be available upon request. funding this work was supported by (fapemig apq-01499"

"Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper."

"Funding This work was supported by 10.13039/501100004901Fundação de Amparo à Pesquisa de Minas Gerais (FAPEMIG, APQ-01499–21), 10.13039/501100003593Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq MCTI/CNPQ/Universal 2021 process# 407779/2021–3) and Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES). AF, RSF, FGF, EFBS, and JGCdR received PQ fellowships from CNPq."