Targeting multiple conformations of SARS-CoV2 Papain-Like Protease for drug repositioning: An in-silico study
Sign Up to like & getrecommendations! Published in 2021 at "Computers in Biology and Medicine"
DOI: 10.1016/j.compbiomed.2021.104295
Abstract: Papain-Like Protease (PLpro) is a key protein for SARS-CoV-2 viral replication which is the cause of the emerging COVID-19 pandemic. Targeting PLpro can suppress viral replication and provide treatment options for COVID-19. Due to the… read more here.
Keywords: drug repositioning; targeting multiple; multiple conformations; like protease ... See more keywords
Structures in multiple conformations reveal distinct transition metal and proton pathways in an Nramp transporter
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DOI: 10.7554/elife.41124
Abstract: Nramp family transporters—expressed in organisms from bacteria to humans—enable uptake of essential divalent transition metals via an alternating-access mechanism that also involves proton transport. We present high-resolution structures of Deinococcus radiodurans (Dra)Nramp in multiple conformations… read more here.
Keywords: metal proton; transport; multiple conformations; proton ... See more keywords
Sampling alternative conformational states of transporters and receptors with AlphaFold2
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DOI: 10.7554/elife.75751
Abstract: Equilibrium fluctuations and triggered conformational changes often underlie the functional cycles of membrane proteins. For example, transporters mediate the passage of molecules across cell membranes by alternating between inward- and outward-facing states, while receptors undergo… read more here.
Keywords: states transporters; conformational states; transporters receptors; sampling alternative ... See more keywords
Tracking multiple conformations occurring on angstrom-and-millisecond scales in single amino-acid-transporter molecules
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DOI: 10.7554/elife.82175
Abstract: The AdiC transporter facilitates the movement of arginine and its metabolite across the membrane of pathogenic enterobacteria, enabling them to evade a host’s highly acidic gastric defense barrier to reach the intestines. Like other transporters,… read more here.
Keywords: millisecond scales; tracking multiple; transporter; angstrom millisecond ... See more keywords