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The valuable ones were protruded by biological screening.
This work presents a new workflow for the rational selection of libraries for biological screening.
Such fused results show promise for a coherent selection of candidates for biological screening.
One of the hits (AW01208), with good predictions was selected for synthesis and biological screening.
Thereafter, the biological screening was done through cytotoxicity, anti-invasion and apoptosis-related assays.
The preliminary biological screening showed that most of our compounds exhibited potent inhibitory activity against HDACs.
The biological screening results indicated that most of these hybrids exhibited good multifunctional activities.
The data obtained from the molecular modeling were correlated with those obtained from the biological screening.
The preliminary biological screening showed that some compounds exhibited potent inhibitory activity against APN.
The recent advancements in synthesis of compounds and large numbers of new compound libraries currently available for biological screening, poses a high demand for predictive computational methods that can prioritize molecules for biological screening.
Biological screening of ethyl acetate extract of Xylaria psidii displayed a potential therapeutic effect on pancreatic cancer cells.
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