Antileishmanial activity of Riparin structural analogs of Aniba riparia: Biological evaluation, in silico Adme-Tox, and molecular docking.

We performed a biological evaluation of antileishmanial activity, in silico ADME-Tox profile, and molecular docking of riparins A-F. The antileishmanial activity was evaluated in Leishmania major promastigotes, whereas the cytotoxic activity was tested on murine macrophages. Computational parameters were predicted by in silico analysis. Molecular docking was performed with 18 L. major molecular targets. Riparins, especially RipC and RipE, showed cytotoxic activity in vitro toward L. major promastigotes and a high selectivity index. Riparins showed small differences in their physicochemical properties, such as polarity and aqueous solubility. LogP was an important parameter for the differences in the antileishmanial activity between the molecules. In molecular docking, the ligands displayed Ki < 1 µM for LmNMT and LmLEI. Significant molecular interactions were observed with residues from the active site and adjacent regions of such enzymes. Thus, riparins have the potential for application in antileishmanial therapy.

In vitro bioactivity and cytotoxicity of films based on mesocarp of Orbignya sp. and carboxymethylcellulose as a tannic acid release matrix.

This study aims to obtain mesocarp films of Orbignya sp. (MB) and carboxymethylcellulose (CMC) for application as a drug release matrix. Tannic acid (TA) was used as a standard drug. The films were evaluated by infrared, swelling power, TA release profile, bioactivity and in vitro cytotoxicity. Infrared results indicated absorption at 1.205 cm-1, which is characteristic of ester group from the incorporated tannin. The MB-CMC film had 449.15% swelling power, release of 71.01% of TA of the matrix after 24 h. Films showed scavenger activity of radicals DPPH (79.07 ± 1.71% to 82.17 ± 1.94%) and ABTS+ (82.20 ± 0.30% to 88.90 ± 1.05). The MB-CMC film also showed in vitro cytotoxicity on sarcoma-180 (91.86 ± 9.97%) and on promastigote forms of Leishmania major (100%). Polymers showed good compatibility in the mixture and the results suggest the films obtained are promising as drug release matrices.