A comprehensive understanding of the structure-activity relationships of a series of ligands toward the primary target protein based on an integration of the ligand binding enthalpy/entropy data and the protein–ligand interaction pattern precisely determined by high-quality crystal structures is thus ...
Potential papain-like protease inhibitors against COVID-19: a comprehensive in silico based review Comb. Chem. High Throughput Screen., 25 (11) (2022), pp. 1838-1858 CrossrefView in ScopusGoogle Scholar [122] A. Tiwari, G. Singh, G. Choudhir, M. Motiwale, N. Joshi, V. Sharma, R...
The membrane (M) protein of betacoronaviruses is well conserved and has a key role in viral assembly1,2. Here we describe the identification of JNJ-9676, a small-molecule inhibitor targeting the coronavirus M protein. JNJ-9676 demonstrates in vitro nanom
In summary, we hope this comprehensive analysis will provide a novel perspective on drug discovery approaches currently targeting SARS-CoV-2 Mpro. Retrospective and critical analysis of established strategies, accompanied by the exploration of novel scaffolds, would effectively boost the identification of...
In this study, in an attempt to address this limitation, we executed a comprehensive virtual workflow in silico to discover drug-like compounds matching selected pharmacophore features in the SARS-CoV-2 3CLpro-bound state of masitinib. We identified a novel lead compound, "masitinibL", a drug...
The results of a comprehensive kinetic analysis using multiple replicates (n = 3, for each inhibitor) are summarized in Extended Data Table2a(see Supplementary Tables3and4for detailed analysis). TheKiand the drug-target residence time (tres) were computed from these primary regression parameter...
Comprehensive mapping of neutralizing antibodies against SARS-CoV-2 variants induced by natural infection or vaccination MedRxiv. (2021) Google Scholar [7] N.G. Davies, C.I. Jarvis, W.J. Edmunds, N.P. Jewell, K. Diaz-Ordaz, R.H. Keogh Increased mortality in community-tested cases of ...
The comprehensive lessons and experiences that have resulted from the outbreaks of SARS and MERS provide valuable insight and advancements in how to react to future emerging and re-emerging infectious agents. Rapid identification of the pathogen via effective diagnostic assays is the first step, ...
Optical, Electrochemical and Electrical (Nano) Biosensors for Detection of Exosomes: A Comprehensive Overview. Biosens. Bioelectron. 2020, 161, 112222. [CrossRef] [PubMed] 33. Topkaya, S.N.; Azimzadeh, M. Biosensors of in Vitro Detection of Cancer and Bacterial Cells. In Nanobiosensors for ...