Improving drug design: an update on recent applications of efficiency metrics, strategies for replacing problematic elements, and compounds in nontraditional drug …
NA Meanwell - Chemical Research in Toxicology, 2016 - ACS Publications
Drug discovery and development is a complex and lengthy enterprise that suffers from high
rates of candidate attrition at all stages of the process. The physical, biological, and …
rates of candidate attrition at all stages of the process. The physical, biological, and …
Mapping the efficiency and physicochemical trajectories of successful optimizations
The practices and tactics employed in successful optimizations are examined, judged from
the trajectories of ligand efficiency and property evolution. A wide range of targets is …
the trajectories of ligand efficiency and property evolution. A wide range of targets is …
Pharmacophoric characteristics of dengue virus NS2B/NS3pro inhibitors: a systematic review of the most promising compounds
CA Leonel, WG Lima, M Dos Santos, AC Ferraz… - Archives of …, 2018 - Springer
Dengue virus (DENV) infection can lead to a wide range of clinical manifestations, including
fatal hemorrhagic complications. There is a need to find effective pharmacotherapies to treat …
fatal hemorrhagic complications. There is a need to find effective pharmacotherapies to treat …
Small-molecule inhibitors of hepatitis C virus (HCV) non-structural protein 5A (NS5A): a patent review (2010-2015)
YA Ivanenkov, VA Aladinskiy, NA Bushkov… - Expert Opinion on …, 2017 - Taylor & Francis
ABSTRACT Introduction: Non-structural 5A (NS5A) protein has achieved a considerable
attention as an attractive target for the treatment of hepatitis C (HCV). A number of novel …
attention as an attractive target for the treatment of hepatitis C (HCV). A number of novel …
Redesigning of the cap conformation and symmetry of the diphenylethyne core to yield highly potent pan-genotypic NS5A inhibitors with high potency and high …
M Abdallah, MM Hamed, E Frakolaki… - European Journal of …, 2022 - Elsevier
Herein, we report the discovery of several NS5A inhibitors with potency against HCV
genotype 1b in the picomolar range. Compounds (15, 33) were of extremely high potency …
genotype 1b in the picomolar range. Compounds (15, 33) were of extremely high potency …
Synthesis, biological evaluation and in silico modeling of novel pan-genotypic NS5A inhibitors
AA Ivashchenko, YA Ivanenkov, VA Aladinskiy… - Bioorganic & Medicinal …, 2020 - Elsevier
A series of novel small-molecule pan-genotypic hepatitis C virus (HCV) NS5A inhibitors with
picomolar activity containing 2-[(2S)-pyrrolidin-2-yl]-5-[4-(4-{2-[(2S)-pyrrolidin-2-yl]-1H …
picomolar activity containing 2-[(2S)-pyrrolidin-2-yl]-5-[4-(4-{2-[(2S)-pyrrolidin-2-yl]-1H …