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For example, the 3D structure of a microRNA target complex is crucial for understanding microRNA's binding affinity and efficacy in gene regulation (Kertesz et al. 2007; Bartel 2009).
Hydrogen bonds and hydrophobic interaction played a critical role in stabilizing protein-ligand complexes and therefore contributed significantly to improving binding affinity and efficacy of the antimicrobial [ 30].
It should be noted that ideally, to make the above conclusion, the analysis should involve the in vitro and in vivo data from a series of EPOR agonists, including both partial and full agonists, with a range of receptor binding affinity and efficacy.
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In another study [95], targeted peptides for the diagnosis and radiotherapy of gastric cancer were radiolabeled with 131I and imaged with CLI to assess their tumor binding affinity and antitumor efficacy.
N-Oxide pyridine analog (7b) was identified as a promising FXR agonist with potent binding affinity and good efficacy, supporting our hypothesis that through an additional hydrogen bond interaction between the pyridine substituent of isoxazole analogs and Tyr373 and Ser336 of FXR, binding affinity and functional activity could be improved.
The results presented here demonstrate that hydrogen bonding and optimized hydrophobic interactions both stabilize the ligands at the target site, and help alter binding affinity and drug efficacy.
Furthermore, 3D-QSAR and MFA calculations were scrutinized to quantify the role of weak interactions in binding affinity and drug efficacy.
It has been already reported that the binding affinity and drug efficacy associated with hydrophobic interactions can be optimized by incorporating them at the site of the hydrogen bonding [38].
Our previous efforts led to the preparation of a series of 3-aryl-4-anilino-2H-chromen-2-ones 3-aryl-4-anilino-2H-chromen-2-ones 3-aryl-4-anilino-2H-chromen-2-ones 3-aryl-4-anilino-2H-chromen-2-ones 3-aryl-4-anilino-2H-chromen-2-ones 3-aryl-4-anilino-2H-chromen-2-ones 3-aryl-4-anilino-2H-chromen-2-ones 3-aryl-4-anilino-2H-chromen-2-ones
The results demonstrated low cytotoxicity, strong pDNA binding affinity and high transgenetic efficacy for new prepared CHOSS lipids, and particularly high intracellular uptake capability and specific cellular localization of pDNA at the periphery of cell nuclei were for the first time interestingly observed for the CHOSS lipid delivery carriers.
Observing less sequence similarity of the conserved hydrophobic amino acids and the good structural resemblance at the active core of c-Src and c-Abl kinases became focused to understand the role of hydrophobic interactions, binding affinity and the functional efficacy of ligands.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com