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The top-scored compound was further optimized for improved binding.
This compound was further characterized for its biological activity in cancer cells.
This compound was further subjected for evaluation of cardiotonic activity (contractile and chronotropic effects) in comparison with Vesnarinone.
The TBK1/IKK-ε enzyme and cell potency of this compound was further improved using structure guided drug design.
This compound was further evaluated at five dose levels (0.01, 0.1, 1, 10 and 100 μM) to obtain GI50 values ranging from 1.30 to 5.64 μM.
This lead compound was further derivatized using SAR and LRD to obtain 3,5-disubstituted-1,2,4-oxadiazole-containing retinoids.
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This compound is further extended into a two-dimensional supramolecular framework through hydrogen bonds.
The presence of the NO2 group in the compound is further confirmed by the stretching vibration peak at 966 correspondingnding to the N O stretching vibration.
The importance of this hit compound is further underlined by its very promising minimum inhibitory concentrations (MICs) against several Gram-positive bacterial strains, including MRSA (32 µg/mL).
The selectivity of both compounds was further confirmed on a panel of receptors, transporters and channels.
Therapeutic potential of the isolated compounds was further studied using PASS software.
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