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      Antibacterial and antibiofilm activity of halogenated phenylboronic acids against Vibrio parahaemolyticus and Vibrio harveyi

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          Abstract

          Vibrios are associated with live seafood because they are part of the indigenous marine microflora. In Asia, foodborne infections caused by Vibrio spp. are common. In recent years, V. parahaemolyticus has become the leading cause of all reported food poisoning outbreaks. Therefore, the halogenated acid and its 33 derivatives were investigated for their antibacterial efficacy against V. parahaemolyticus. The compounds 3,5-diiodo-2-methoxyphenylboronic acid (DIMPBA) and 2-fluoro-5-iodophenylboronic acid (FIPBA) exhibited antibacterial and antibiofilm activity. DIMPBA and FIPBA had minimum inhibitory concentrations of 100 μg/mL for the planktonic cell growth and prevented biofilm formation in a dose-dependent manner. Both iodo-boric acids could diminish the several virulence factors influencing the motility, agglutination of fimbria, hydrophobicity, and indole synthesis. Consequently, these two active halogenated acids hampered the proliferation of the planktonic and biofilm cells. Moreover, these compounds have the potential to effectively inhibit the presence of biofilm formation on the surface of both squid and shrimp models.

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          SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

          To be effective as a drug, a potent molecule must reach its target in the body in sufficient concentration, and stay there in a bioactive form long enough for the expected biologic events to occur. Drug development involves assessment of absorption, distribution, metabolism and excretion (ADME) increasingly earlier in the discovery process, at a stage when considered compounds are numerous but access to the physical samples is limited. In that context, computer models constitute valid alternatives to experiments. Here, we present the new SwissADME web tool that gives free access to a pool of fast yet robust predictive models for physicochemical properties, pharmacokinetics, drug-likeness and medicinal chemistry friendliness, among which in-house proficient methods such as the BOILED-Egg, iLOGP and Bioavailability Radar. Easy efficient input and interpretation are ensured thanks to a user-friendly interface through the login-free website http://www.swissadme.ch. Specialists, but also nonexpert in cheminformatics or computational chemistry can predict rapidly key parameters for a collection of molecules to support their drug discovery endeavours.
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            Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

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              The Halogen Bond

              The halogen bond occurs when there is evidence of a net attractive interaction between an electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic region in another, or the same, molecular entity. In this fairly extensive review, after a brief history of the interaction, we will provide the reader with a snapshot of where the research on the halogen bond is now, and, perhaps, where it is going. The specific advantages brought up by a design based on the use of the halogen bond will be demonstrated in quite different fields spanning from material sciences to biomolecular recognition and drug design.
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                Author and article information

                Contributors
                URI : https://loop.frontiersin.org/people/1109951Role: Role: Role:
                URI : https://loop.frontiersin.org/people/463254Role: Role: Role: Role: Role:
                URI : https://loop.frontiersin.org/people/436664Role: Role: Role: Role: Role:
                Journal
                Front Cell Infect Microbiol
                Front Cell Infect Microbiol
                Front. Cell. Infect. Microbiol.
                Frontiers in Cellular and Infection Microbiology
                Frontiers Media S.A.
                2235-2988
                28 March 2024
                2024
                : 14
                : 1340910
                Affiliations
                [1] School of Chemical Engineering, Yeungnam University , Gyeongsan, Republic of Korea
                Author notes

                Edited by: Adline Princy Solomon, SASTRA Deemed University, India

                Reviewed by: Pantu Kumar Roy, Gyeongsang National University, Republic of Korea

                Tom Defoirdt, Ghent University, Belgium

                *Correspondence: Jintae Lee, jtlee@ 123456ynu.ac.kr
                Article
                10.3389/fcimb.2024.1340910
                11007048
                38606300
                6af12118-515a-40a9-a41d-7a43eb3e1bdb
                Copyright © 2024 Sathiyamoorthi, Lee and Lee

                This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

                History
                : 19 November 2023
                : 15 March 2024
                Page count
                Figures: 4, Tables: 1, Equations: 0, References: 57, Pages: 14, Words: 6695
                Funding
                The author(s) declare financial support was received for the research, authorship, and/or publication of this article. This research was supported by the Basic Science Research Program of the National Research Foundation of Korea (NRF) funded by the Ministry of Education (2021R1I1A3A04037486) and the NRF funded by the Korean government (MSIT) (2021R1A2C1008368).
                Categories
                Cellular and Infection Microbiology
                Original Research
                Custom metadata
                Biofilms

                Infectious disease & Microbiology
                antibacterial,antibiofilm,halogenated acids,vibrio harveyi,v. parahaemolitycus

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