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Contour map analysis of best CoMFA and CoMSIA model suggested incorporation of hydrophobic, bulky and electronegative groups to increase potency of the designed compounds.
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The antibacterial potency of these designed HDAPs does not appear to correlate with their overall α-helical content, unlike previous observations for analogs of buforin II.
The structural studies confirm the predictions made by computer and demonstrate the high potency of the design principles.
The promising potency and selectivity data of the designed phthalimide scaffold allowed us to perform the second step of our design concept, which was targeting water‐mediated interactions in order to improve the potency of the inhibitor structure.
This study highlights the potential of human Fc to enhance the potency of peptides designed on the CDRs of antibodies and could be useful in developing new TNFα antagonists.
In vitro activity assay indicated that most of the designed compounds displayed submicromolar inhibitory potency.
The experimental data showed that most of the designed compounds exhibited significant in vitro potency against fXa.
The experimental data showed that most of the designed compounds displayed significant in vitro potency against fXa.
In our mission to rationally develop novel effective small molecules against Hsp90, we predicted the potency of our designed compounds by Sybyl surflex Geom X docking method.
With the aim of increasing the potency of SERDs, we designed and synthesized various tamoxifen derivatives that have various lengths and terminal groups of the long alkyl side chain.
The data provide new insights into the differences between the two enzymes in terms of substrate recognition and catalytic efficiency and may also explain the relative potencies of rationally designed inhibitors.
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CEO of Professional Science Editing for Scientists @ prosciediting.com