Antitarget, anti-SARS-CoV-2 leads, drugs, and the drug discovery–genetics alliance perspective
The most advanced antiviral molecules addressing major SARS-CoV-2 targets (Main
protease, Spike protein, and RNA polymerase), compared with proteins of other human …
protease, Spike protein, and RNA polymerase), compared with proteins of other human …
Autodock vina adopts more accurate binding poses but autodock4 forms better binding affinity
The binding pose and affinity between a ligand and enzyme are very important pieces of
information for computer-aided drug design. In the initial stage of a drug discovery project …
information for computer-aided drug design. In the initial stage of a drug discovery project …
Inhibition of viral membrane fusion by peptides and approaches to peptide design
N Düzgüneş, N Fernandez-Fuentes, K Konopka - Pathogens, 2021 - mdpi.com
Fusion of lipid-enveloped viruses with the cellular plasma membrane or the endosome
membrane is mediated by viral envelope proteins that undergo large conformational …
membrane is mediated by viral envelope proteins that undergo large conformational …
Molecular design of curcumin analogues with potent antioxidant properties and thermodynamic evaluation of their mechanism of free radical scavenge
Background Free radical attack of cellular structures in the human system is the major cause
of various forms of degenerative diseases. Consequently, recent research has been focused …
of various forms of degenerative diseases. Consequently, recent research has been focused …
MedChemExpress compounds prevent neuraminidase N1 via physics-and knowledge-based methods
Influenza A viruses spread out worldwide, causing several global concerns. Hence,
discovering neuraminidase inhibitors to prevent the influenza A virus is of great interest. In …
discovering neuraminidase inhibitors to prevent the influenza A virus is of great interest. In …
Computational prediction of the supramolecular self-assembling properties of organic molecules: the role of conformational flexibility of amide moieties
Two families of organic molecules with different backbones have been considered. The first
family is based on a macrolactam-like unit that is constrained in a particular conformation …
family is based on a macrolactam-like unit that is constrained in a particular conformation …
Peptide inhibitors of viral membrane fusion
N Düzgüneş, K Konopka - Medical Research Archives, 2020 - esmed.org
Lipid-enveloped viruses, including HIV-1 and SARS-CoV-2, infect their host cells by fusion
either directly with the plasma membrane or with the endosome membrane following …
either directly with the plasma membrane or with the endosome membrane following …
Antiviral Activity of a Cyclic Pro-Pro-β3-HoPhe-Phe Tetrapeptide against HSV-1 and HAdV-5
E Zaczyńska, K Kaczmarek, J Zabrocki, J Artym… - Molecules, 2022 - mdpi.com
The core of Cyclolinopeptide A (CLA, cyclo (LIILVPPFF)), responsible for its high
immunosuppressive activity, contains a Pro-Pro-Phe-Phe sequence. A newly synthesized …
immunosuppressive activity, contains a Pro-Pro-Phe-Phe sequence. A newly synthesized …
Discovering Neuraminidase Inhibitors via Computational and Experimental Studies
Influenza A viruses spread out worldwide causing several global concerns. Discovering
neuraminidase inhibitors to prevent the influenza A virus is thus of great interests. In this …
neuraminidase inhibitors to prevent the influenza A virus is thus of great interests. In this …
Grafting Methionine on 1F1 Ab Increases the Broad-Activity on HA Structural-Conserved Residues of H1, H2, and H3 Influenza a Viruses
HT Le, PC Do, L Le - Evolutionary Bioinformatics, 2021 - journals.sagepub.com
A high level of mutation enables the influenza A virus to resist antibiotics previously effective
against the influenza A virus. A portion of the structure of hemagglutinin HA is assumed to be …
against the influenza A virus. A portion of the structure of hemagglutinin HA is assumed to be …