TL;DR
Five compounds from Macrosphyra longistyla (Rubiaceae) exhibited moderate anticancer activity and inhibited the proliferation of triple-negative breast cancer cells, with 15-23% inhibition of cell viability compared to the standard drug paclitaxel (PTX; 94%).
Phytochemical investigation of the roots of Crepis napifera yielded six previously undescribed sesquiterpenoid derivatives, napifera A-F (1-5 and 16), together with 23 known compounds, which expand the known structural diversity of sesquiterpenoids from C. napifera.
Molecular docking studies supported the in vitro biological activity findings by revealing the binding modes of the compounds to the target proteins of M. smegmatis, Candida albicans, and Escherichia coli and by identifying their critical amino acid interactions.
The integrated cytotoxicity, docking and ADME data provide a rationale for the observed bioactivities and candidates for further study.
One new lignan, ocigralignan A (1), and one new phenylpropanoid, 3-amino-1-(4-hydroxy-3-methoxyphenyl)propane-1, 2-diol (2), together with six known compounds (3–8) were isolated from the essential oil of Ocimum gratissimum L. The structures and absolute configurations of 1 and 2 were elucidated by spectroscopic method...
A chemical investigation of the CH2Cl2 extract of a sponge Agelas nakamurai guided by the molecular networking approach resulted in the isolation of 7 undescribed N-methylpurine diterpene alkaloids, namely nakamuranine A-G (1-7), in addition to (+)-8-epiagelasine T, agelasine D and (+)-agelamide D. Their structures wer...
To enhance the antifungal activity of 4-(diethylamino)salicylaldehyde (DSA), 20 salicylaldehyde Schiff base compounds (L1–L20), including nine novel derivatives, were synthesized and characterized by MS, 1H NMR, and 13C NMR. In vitro assays identified compound L5 as the most active agent, with an EC50 of 10.797 μg/mL...
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