Methyl-4-hydroxy-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydrobenzofuran-5-carboxylate

Acknowledgments The authors would like to thank Albrn Care India for their continued support. The authors would also like to thank Harpreet Oberoi and Aparna Koride for their continued support. The authors would additionally like to thank Russell Gray for his support and help in conducting the NMR experiments. The collection was carried out in collaboration with Michael Goodfellow, University of Newcastle, and Juan Asenjo and Barbara Andrews, University of Chile. Funding The collection of materials was carried out with the financial support of the Royal Society International Joint Project Award JP100654 to Prof Alan Bull, University of Kent.Peer reviewedPublisher PD

(E)-N-(3-(5-(3-Acetamidopropyl)-3,6-dioxopiperazin-2-yl)propyl)-5-hydroxy-3-methylpent-2-enamide

Funding The collection of materials was carried out with financial support from the UK Newton Project for UK–Chile Collaboration (JIC CA 586) to Professor Mervyn Bibb, John Inness Centre, Norwich, UK. Acknowledgments The authors would like to thank Albrn Care India, Nidhan Singh Oberoi, and P.S. Oberoi, I.C.A.R-National Dairy Research Institute, India, as well as Aparna Koride for their continued support. They would also like to thank Russell Gray for his support in running the NMR experiments. Data collection was carried out in collaboration with Michael Goodfellow, University of Newcastle, and Juan Asenjo and Barbara Andrews, University of Chile.Peer reviewedPublisher PD

Virtual Screening of a Library of Naturally Occurring Anthraquinones for Potential Anti-Fouling Agents

Acknowledgments A sincere thanks to Mehak Sharma and Varship Creations, India, for their constructive suggestions. Additionally, thank you to Nidhan Singh Oberoi and Albrn Care, India. Funding This research received no external funding.Peer reviewedPublisher PD

Mutactimycin AP, a New Mutactimycin Isolated from an Actinobacteria from the Atacama Desert

Funding: This work was supported by national funds from FCT—Fundação para a Ciência e a Tecnologia, I.P., within the projects UIDB/04564/2020 and UIDP/04564/2020.Peer reviewedPublisher PD

Virtual Screening of a Library of Naturally Occurring Anthraquinones for Potential Anti-Fouling Agents

Marine biofouling is the undesired accumulation of organic molecules, microorganisms, macroalgae, marine invertebrates, and their by-products on submerged surfaces. It is a serious challenge for marine vessels and the oil, gas, and renewable energy industries, as biofouling can cause economic losses for these industries. Natural products have been an abundant source of therapeutics since the start of civilisation. Their use as novel anti-fouling agents is a promising approach for replacing currently used, harmful anti-fouling agents. Anthraquinones (AQs) have been used for centuries in the food, pharmaceutical, cosmetics, and paint industries. Citreorosein and emodin are typical additives used in the anti-fouling paint industry to help improve the global problem of biofouling. This study is based on our previous study, in which we presented the promising activity of structurally related anthraquinone compounds against biofilm-forming marine bacteria. To help uncover the anti-fouling potential of other AQ-related structures, 2194 compounds from the COCONUT natural products database were analysed. Molecular docking analysis was performed to assess the binding strength of these compounds to the LuxP protein in Vibrio carchariae. The LuxP protein is a vital binding protein responsible for the movements of autoinducers within the quorum sensing system; hence, interrupting the process at an early stage could be an effective strategy. Seventy-six AQ structures were found to be highly docked, and eight of these structures were used in structure-based pharmacophore modelling, resulting in six unique pharmacophore features