In Search of Novel CDK8 Inhibitors by Virtual Screening
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DOI: 10.1021/acs.jcim.6b00711
Abstract: Aberrant activity of cyclin-dependent kinase (CDK) 8 is implicated in various cancers. While CDK8-targeting anticancer drugs are highly sought-after, no CDK8 inhibitor has yet reached clinical trials. Herein a large library of drug-like molecules was… read more here.
Keywords: virtual screening; cdk8 inhibitors; search novel; cdk8 ... See more keywords
Molecular Adsorption of H2 on Small Neutral Silver–Copper Bimetallic Nanoparticles: A Search for Novel Hydrogen Storage Materials
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DOI: 10.1021/acsomega.1c06146
Abstract: In the search for novel hydrogen storage materials, neutral silver–copper bimetallic nanoparticles up to the size of eight atoms (CumAgn: m + n ≤ 8) have been computationally studied. Density functional theory with the B3LYP… read more here.
Keywords: adsorption; novel hydrogen; hydrogen storage; search novel ... See more keywords
Search for Novel Potent Inhibitors of the SARS-CoV-2 Papain-like Enzyme: A Computational Biochemistry Approach
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DOI: 10.3390/ph15080986
Abstract: The rapid emergence and spread of new variants of coronavirus type 2, as well as the emergence of zoonotic viruses, highlights the need for methodologies that contribute to the search for new pharmacological treatments. In… read more here.
Keywords: search novel; cov papain; papain like; biochemistry ... See more keywords
Seaweed Extracts as an Effective Gateway in the Search for Novel Antibiofilm Agents against Staphylococcus aureus
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DOI: 10.3390/plants11172285
Abstract: Treatment of biofilm-associated infections has become a major challenge in biomedical and clinical fields due to the failure of conventional treatments in controlling this highly complex and tolerant structure. Therefore, the search for novel antibiofilm… read more here.
Keywords: antibiofilm agents; seaweed extracts; search novel; antibiofilm ... See more keywords
Search of Novel Small Molecule Inhibitors for the Main Protease of SARS-CoV-2
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DOI: 10.3390/v15020580
Abstract: The current outbreak of coronavirus disease 2019 (COVID-19) has prompted the necessity of efficient treatment strategies. The COVID-19 pandemic was caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Main protease (Mpro), also called… read more here.
Keywords: small molecule; protease; search novel; main protease ... See more keywords