Microplastic leachates induce species-specific trait strengthening in intertidal mussels:
- Authors: Seuront, Laurent , Nicastro, Katy , McQuaid, Christopher D , Zardi, Gerardo I
- Date: 2020
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/158200 , vital:40162 , https://0-doi.org.wam.seals.ac.za/10.1002/eap.2222. https://doi.org/10.5061/dryad.905qftthq
- Description: Plastic pollution is ubiquitous with increasing recognition of its direct effects on species’ fitness. Little is known, however, about its more subtle effects, including the influence of plastic pollution on the morphological, functional and behavioural traits of organisms that are central to their ability to withstand disturbances. Among the least obvious but most pernicious forms of plastic-associated pollution are the chemicals that leach from microplastics. Here, we investigate how such leachates influence species’ traits by assessing functional trait compensation across four species of intertidal mussels, through investigations of byssal thread production, movement and aggregation behaviour for mussels held in natural seawater or seawater contaminated by microplastic leachates.
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- Date Issued: 2020
Understanding the Pyrimethamine drug resistance mechanism via combined molecular dynamics and dynamic residue network analysis:
- Authors: Amusengeri, Arnold , Tata, Rolland B , Tastan Bishop, Özlem
- Date: 2020
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/163022 , vital:41005 , https://doi.org/10.3390/molecules25040904
- Description: In this era of precision medicine, insights into the resistance mechanism of drugs are integral for the development of potent therapeutics. Here, we sought to understand the contribution of four point mutations (N51I, C59R, S108N, and I164L) within the active site of the malaria parasite enzyme dihydrofolate reductase (DHFR) towards the resistance of the antimalarial drug pyrimethamine. Homology modeling was used to obtain full-length models of wild type (WT) and mutant DHFR. Molecular docking was employed to dock pyrimethamine onto the generated structures. Subsequent all-atom molecular dynamics (MD) simulations and binding free-energy computations highlighted that pyrimethamine’s stability and affinity inversely relates to the number of mutations within its binding site and, hence, resistance severity.
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- Date Issued: 2020