“…When adapting to a new host organism, selection pressure may be imposed by differences in the internal environment of host cells. For instance, bats experience a larger range of body temperatures compared with humans, , including periods of activity at very high temperature. , Differences in host body temperatures impose different thermodynamic and kinetic constraints on the structure and activity of viral proteins within cells, which is a known factor limiting inter-species virus transmission , as well as tissue tropism within a single host. , …”
The main protease of SARS-CoV-2 (Mpro) plays
a critical
role in viral replication; although it is relatively conserved, Mpro has nevertheless evolved over the course of the COVID-19
pandemic. Here, we examine phenotypic changes in clinically observed
variants of Mpro, relative to the originally reported wild-type
enzyme. Using atomistic molecular dynamics simulations, we examine
effects of mutation on protein structure and dynamics. In addition
to basic structural properties such as variation in surface area and
torsion angles, we use protein structure networks and active site
networks to evaluate functionally relevant characters related to global
cohesion and active site constraint. Substitution analysis shows a
continuing trend toward more hydrophobic residues that are dependent
on the location of the residue in primary, secondary, tertiary, and
quaternary structures. Phylogenetic analysis provides additional evidence
for the impact of selective pressure on mutation of Mpro. Overall, these analyses suggest evolutionary adaptation of Mpro toward more hydrophobicity and a less-constrained active
site in response to the selective pressures of a novel host environment.
“…When adapting to a new host organism, selection pressure may be imposed by differences in the internal environment of host cells. For instance, bats experience a larger range of body temperatures compared with humans, , including periods of activity at very high temperature. , Differences in host body temperatures impose different thermodynamic and kinetic constraints on the structure and activity of viral proteins within cells, which is a known factor limiting inter-species virus transmission , as well as tissue tropism within a single host. , …”
The main protease of SARS-CoV-2 (Mpro) plays
a critical
role in viral replication; although it is relatively conserved, Mpro has nevertheless evolved over the course of the COVID-19
pandemic. Here, we examine phenotypic changes in clinically observed
variants of Mpro, relative to the originally reported wild-type
enzyme. Using atomistic molecular dynamics simulations, we examine
effects of mutation on protein structure and dynamics. In addition
to basic structural properties such as variation in surface area and
torsion angles, we use protein structure networks and active site
networks to evaluate functionally relevant characters related to global
cohesion and active site constraint. Substitution analysis shows a
continuing trend toward more hydrophobic residues that are dependent
on the location of the residue in primary, secondary, tertiary, and
quaternary structures. Phylogenetic analysis provides additional evidence
for the impact of selective pressure on mutation of Mpro. Overall, these analyses suggest evolutionary adaptation of Mpro toward more hydrophobicity and a less-constrained active
site in response to the selective pressures of a novel host environment.
“…Climate, habitat, and biotic interactions seem to be the factors most contributing to differences in bat composition, activity, and diversity (Estrada-Villegas et al, 2012;Appel et al, 2021;da Costa et al, 2021;Smith et al, 2021;Ramos Pereira et al, 2022). Climatic conditions are responsible for determining the temporal and spatial availability of resources at large scales and, at small scales may impose activity restrictions associated with metabolic costs, for instance, those associated with maintaining high and stable body temperatures when the ambient temperature is low.…”
The Pampa is the least protected and one of the least sampled for bats among the Brazilian domains. This leads to significant Linnean and Wallacean shortfalls for bats in the Brazilian-Uruguayan savanna ecoregion. Here, we aimed to model the occupancy of aerial insectivorous bats in response to landscape structure at different scales, considering the influence of microclimate on bat detection. We acoustically monitored 68 locations during the spring and summer of 2019/2020, gathering data on temperature and humidity associated with each acoustic record using data loggers. We detected at least 11 species of the Molossidae and the Vespertilionidae families, of which 9 were used in the model. The response to landscape structure was species-specific: the occupancy probability of Eptesicus brasiliensis and Molossus cf. currentium increased with landscape connectivity at the 500 m scale while Eptesicus furinalis and Histiotus cf. velatus were negatively affected by landscape connectivity at the 5.0 km scale. Molossus occupancy probability responded negatively to landscape heterogeneity at the 3.0 km scale, while Promops centralis responded positively to landscape heterogeneity at the 5.0 km scale. Molossus rufus responded negatively to native vegetation cover and positively to landscape heterogeneity at the 5.0 km scale. Myotis albescens and Molossops temminckii did not respond significantly to any of the evaluated landscape metrics. Our results show that different bat species perceive the landscape differently, regardless of the guild of use of space – edge- or open-space forager. Our estimate of projected occupancy for the areas contiguous to those sampled ranged from 0.45 to 0.70 for the whole of the bat taxa, suggesting that the landscape, particularly where it still maintains its native elements, is reasonably favourable to aerial insectivores.
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