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AbstractCoronavirus disease (COVID-19) has the virus that causes the SARS-CoV-2 severe acute respiratory syndrome, which has reached a pandemic proportion, with thousands of deaths worldwide already registered. It has no standardized effective clinical treatment, arousing the urgent need for the discovery of bioactive compounds for the treatment of symptoms of COVID-19. In this context, the present study aimed to evaluate the influence of seasonality on the yield and chemical composition of the essential oils of Piper cernuumand Piper rivinoidesas well as to evaluate the anti-SARS-CoV-2 potential of the major components of each oil by molecular docking and quantum chemical calculation (Density Functional Theory method), being possible indicate that the winter and autumn periods, the seasons of the year where it is possible to obtain the highest percentage of Piper cernuumand Piper rivinoidesoils, respectively. Regarding the anti-SARS-Cov-2 potential, the present work showed that the dihydroagarofuran present in Piper cernuum, presented a strong interaction with amino acid residues from Mpro, presenting a potential similar to Remdesivir, a drug for clinical use. Regarding methyltransferase, dihydroagarofuran (Piper cernuum) and myristicin (Piper rivinoids) showed better affinity, with important interactions at the active site of the inhibitor Sinefugin, suggesting a potential inhibitory effect of the heterodimer methyltransferase complex NSP16-NSP10 SARS Cov-2. Molecular docking and molecular dynamics studies represent an initial step, being indicative for future in vitrostudies of dihydroagarofuran and myristicin, as possible pharmacological tools for COVID-19.Communicated by Ramaswamy H. Sarma

•1,8-naphthyridine sulfonamides showed synergy with norfloxacin and ethidium bromide.•MICs of multidrug-resistant S. aureusstrains SA-1199 and SA-1199B were reduced.•In silico tests agreed with microbiologic results, with clinically relevant values.•Compounds had favourable interaction energy and undergo gastrointestinal absorption.•Data suggest that the drug would be relatively non-toxic for individual consumption.•1,8-naphthyridines possibly inhibit the NorA efflux pump.

The present paper reports the synthesis and antiprotozoal activity of N-quinolin-8-yl-arylsulfonamides and their copper and zinc complexes. Sulfonamides 2-5 were synthesized by reacting 8-aminoquinoline with several commercial arylsulfonyl chlorides. The corresponding complexes 6-13 were obtained using copper (II) acetate or zinc chloride in methanol. In vitro activity was carried out against promastigote forms of Leishmania braziliensis and L. chagasi, and epimastigote forms of Trypanosoma cruzi. Selected compounds were tested against axenic amastigote forms of L. braziliensis. The new 2,5-dichlorobenzenesulfonamide ligand was found to be inactive under the selected bioassays, however its copper complex 8 was active with the highest selective indexes (SI) against L. braziliensis promastigote and amastigote forms, with IC50 values of 2.59 and 0.35 M, respectively. Difluorinated copper 10 and zinc 11 complexes were most active against L. braziliensis, with IC50 of 1.11 M and 1.25 M, respectively. However, the SI values were about 12 for both compounds. In general, the complexation of sulfonamides increases the antiprotozoal activity, as well as the cytotoxicity on Vero cells. These results confirm the antiprotozoal potential of sulfonamides and metal-based sulfonamides.

The leishmanicidal and trypanocidal activities of chlorinated 1,7- and 1,8-naphthyridines were evaluated against cultured of L. amazonensis promastigote and T. cruzi epimastigote forms. Active compounds were also tested against blood trypomastigotes and their toxicity to Vero cells. Among the compounds evaluated 10 was the most active against L. amazonensis promastigotes and T. cruzi epimastigotes, IC50= 8.6 μM and IC50 =20.4 μM, respectively.

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