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Current treatments for the disease may have side effects, and there is also a need for new therapies that can selectively target the bacteria. Pathogens responsible for Lyme disease include B. burgdorferi, B. afzelii, and B. garinii. In this study, we employed structural docking-based screening to identify potential lead-like inhibitors against the bacterium. We first identified the core essential genome fraction of the bacterium, using 37 strains. Later, we screened a library of lead-like marine microbial metabolites (<jats:inline-formula><a:math xmlns:a=\"http:\/\/www.w3.org\/1998\/Math\/MathML\" id=\"M1\"><a:mi>n<\/a:mi><a:mo>=<\/a:mo><a:mn>4730<\/a:mn><\/a:math><\/jats:inline-formula>) against the arginine deiminase (ADI) protein of Borrelia garinii. This protein plays a crucial role in the survival of the bacteria, and inhibiting it can kill the bacterium. The prioritized lead compounds demonstrating favorable binding energies and interactions with the active site of ADI were then evaluated for their drug-like and pharmacokinetic parameters to assess their suitability for development as drugs. Results from molecular dynamics simulation (100\u2009ns) and other scoring parameters suggest that the compound CMNPD18759 (common name: aureobasidin; IUPAC name: 2-[(4R,6R)-4,6-dihydroxydecanoyl]oxypropan-2-yl (3S,5R)-3,5-dihydroxydecanoate) holds promise as a potential drug candidate for the treatment of Lyme disease, caused by B. garinii. However, further experimental studies are needed to validate the efficacy and safety of this compound in vivo.<\/jats:p>","DOI":"10.1155\/2024\/9997082","type":"journal-article","created":{"date-parts":[[2024,2,29]],"date-time":"2024-02-29T17:21:10Z","timestamp":1709227270000},"page":"1-19","source":"Crossref","is-referenced-by-count":1,"title":["Screening Marine Microbial Metabolites as Promising Inhibitors of Borrelia garinii: A Structural Docking Approach towards Developing Novel Lyme Disease Treatment"],"prefix":"10.1155","volume":"2024","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-1785-3803","authenticated-orcid":true,"given":"Zarrin","family":"Basharat","sequence":"first","affiliation":[{"name":"Alpha Genomics (Private) Limited, Islamabad 45710, Pakistan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4521-016X","authenticated-orcid":true,"given":"Sadia","family":"Sattar","sequence":"additional","affiliation":[{"name":"Molecular Virology Labs, Department of Biosciences, COMSATS University Islamabad, Islamabad Campus, Islamabad 45550, Pakistan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5335-1037","authenticated-orcid":true,"given":"Ammar Abdulraheem","family":"Bahauddin","sequence":"additional","affiliation":[{"name":"Department of Pharmacology and Toxicology, Taibah University, Madinah Al-Munawarah, Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3868-2057","authenticated-orcid":true,"given":"Abdulaziz K.","family":"Al Mouslem","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Sciences, College of Clinical Pharmacy, King Faisal University, Al Ahsa 31982, Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4780-7082","authenticated-orcid":true,"given":"Ghallab","family":"Alotaibi","sequence":"additional","affiliation":[{"name":"Department of Pharmacology, College of Pharmacy, Al-Dawadmi Campus, Shaqra University, Shaqra, Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","reference":[{"key":"1","doi-asserted-by":"publisher","DOI":"10.24425\/pjvs.2022.142036"},{"key":"2","doi-asserted-by":"publisher","DOI":"10.3390\/vetsci10020141"},{"key":"3","doi-asserted-by":"publisher","DOI":"10.21775\/cimb.042.333"},{"key":"4","doi-asserted-by":"publisher","DOI":"10.1016\/j.medmal.2019.01.007"},{"key":"5","doi-asserted-by":"publisher","DOI":"10.3389\/fimmu.2017.00116"},{"key":"6","doi-asserted-by":"publisher","DOI":"10.1038\/nrdp.2016.90"},{"key":"7","doi-asserted-by":"publisher","DOI":"10.1002\/9781119650836.ch20"},{"key":"8","doi-asserted-by":"publisher","DOI":"10.5958\/0975-4377.2018.00004.6"},{"key":"9","doi-asserted-by":"publisher","DOI":"10.1007\/s11926-019-0857-2"},{"key":"10","doi-asserted-by":"publisher","DOI":"10.1016\/j.disamonth.2018.01.007"},{"key":"11","doi-asserted-by":"publisher","DOI":"10.1016\/S1473-3099(15)00464-8"},{"key":"12","doi-asserted-by":"publisher","DOI":"10.1007\/s10096-018-3417-1"},{"issue":"6","key":"13","first-page":"373","article-title":"Beyond the bull's eye: recognizing Lyme disease","volume":"65","author":"G. 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