2020
DOI: 10.1371/journal.pone.0234901
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Attempting to synthesize lasso peptides using high pressure

Abstract: Lasso peptides are unique in that the tail of the lasso peptide threads through its macrolactam ring. The unusual structure and biological activity of lasso peptides have generated increased interest from the scientific community in recent years. Because of this, many new types of lasso peptides have been discovered. These peptides can be synthesized by microorganisms efficiently, and yet, their chemical assembly is challenging. Herein, we investigated the possibility of high pressure inducing the cyclization … Show more

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Cited by 9 publications
(11 citation statements)
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“…Collectively, these results suggest that the right-handed MccJ25 pre-lasso conformation is a metastable state that is accessible from the unfolded landscape, while the left-handed MccJ25 pre-lasso conformation is inaccessible. Additionally, the pre-tadpole structures significantly outnumber the pre-lasso structures, consistent with experimental observations of only tadpole structures from de novo folding. , …”
Section: Resultssupporting
confidence: 87%
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“…Collectively, these results suggest that the right-handed MccJ25 pre-lasso conformation is a metastable state that is accessible from the unfolded landscape, while the left-handed MccJ25 pre-lasso conformation is inaccessible. Additionally, the pre-tadpole structures significantly outnumber the pre-lasso structures, consistent with experimental observations of only tadpole structures from de novo folding. , …”
Section: Resultssupporting
confidence: 87%
“…Additionally, the pre-tadpole structures significantly outnumber the pre-lasso structures, consistent with experimental observations of only tadpole structures from de novo folding. 25,28 These contrasting results to those previously reported, 25 which used GROMOS 43A2, 55 led to an investigation of the potential influence of the force fields used. It is important to highlight that the GROMOS 43A2 force field, which was considered cutting-edge in 2010, has undergone significant updates and reparameterization to correct numerous issues, 39−42 including the introduction of new Φ/Ψ torsional angle terms.…”
Section: Assessing Mccj25 Handednessmentioning
confidence: 79%
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“…If the system exhibits two metastable states A and B, this leads to the following expression for the collective variable s s ( R ) = false( μ A μ B false) T ( boldΣ normalA 1 + boldΣ normalB 1 ) bold-italicd ( R ) where μ i is the mean vector of class i , d is the descriptor vector, and R is the atomic coordinates. In HLDA metadynamics, the system is encouraged to move from one metastable state A to the other B in a perpendicular direction W to the decision boundary that separates the metastable states (Figure ).…”
Section: Methodsmentioning
confidence: 99%
“…Direct synthesis would enable greater flexibility, including the incorporation of non-native moieties and variants. However, synthesizing lasso peptides has proven challenging and consistently led to the formation of the unthreaded variants, , known as the tadpole conformation (Figure C). The perceived limitation is accessing the pre-folded threaded structure, herein called pre-lasso (Figure D), as opposed to the unthreaded structure (pre-tadpole, Figure E) in the absence of a stabilizing enzyme …”
Section: Introductionmentioning
confidence: 99%