Anbuselvam Mohan, Katherine C Ji, Balasubramanian Chitra, Anbuselvam Jeeva, Hai-Feng Ji
{"title":"n -肉豆浆酰基转移酶与锌数据库小分子的分子对接分析用于筛选潜在的抗疟疾药物。","authors":"Anbuselvam Mohan, Katherine C Ji, Balasubramanian Chitra, Anbuselvam Jeeva, Hai-Feng Ji","doi":"10.6026/973206300211397","DOIUrl":null,"url":null,"abstract":"<p><p>Malaria is one of the major global public health problems, is primarily caused by protozoan parasites of the genus <i>Plasmodium</i> and transmitted through the bites of infected female <i>Anopheles</i> mosquitoes. N-Myristoyltransferase (NMT) is an important drug target, particularly for <i>Plasmodium vivax</i>. Therefore, it is of interest to describe the molecular docking analysis of N-myristoyl-transferase with small molecules from the ZINC database for screening potential anti-malarial drugs. Hence, we report four potential compounds namely ZINC37555319, ZINC41016284, ZINC41016205, and ZINC47160805 with acceptable ADME properties for further consideration.</p>","PeriodicalId":8962,"journal":{"name":"Bioinformation","volume":"21 6","pages":"1397-1403"},"PeriodicalIF":1.9000,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12449506/pdf/","citationCount":"0","resultStr":"{\"title\":\"Molecular docking analysis of N-myristoyl-transferase with small molecules from the ZINC database for screening potential anti-malarial drugs.\",\"authors\":\"Anbuselvam Mohan, Katherine C Ji, Balasubramanian Chitra, Anbuselvam Jeeva, Hai-Feng Ji\",\"doi\":\"10.6026/973206300211397\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>Malaria is one of the major global public health problems, is primarily caused by protozoan parasites of the genus <i>Plasmodium</i> and transmitted through the bites of infected female <i>Anopheles</i> mosquitoes. N-Myristoyltransferase (NMT) is an important drug target, particularly for <i>Plasmodium vivax</i>. Therefore, it is of interest to describe the molecular docking analysis of N-myristoyl-transferase with small molecules from the ZINC database for screening potential anti-malarial drugs. Hence, we report four potential compounds namely ZINC37555319, ZINC41016284, ZINC41016205, and ZINC47160805 with acceptable ADME properties for further consideration.</p>\",\"PeriodicalId\":8962,\"journal\":{\"name\":\"Bioinformation\",\"volume\":\"21 6\",\"pages\":\"1397-1403\"},\"PeriodicalIF\":1.9000,\"publicationDate\":\"2025-06-30\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12449506/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Bioinformation\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.6026/973206300211397\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2025/1/1 0:00:00\",\"PubModel\":\"eCollection\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Bioinformation","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.6026/973206300211397","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/1/1 0:00:00","PubModel":"eCollection","JCR":"","JCRName":"","Score":null,"Total":0}
Molecular docking analysis of N-myristoyl-transferase with small molecules from the ZINC database for screening potential anti-malarial drugs.
Malaria is one of the major global public health problems, is primarily caused by protozoan parasites of the genus Plasmodium and transmitted through the bites of infected female Anopheles mosquitoes. N-Myristoyltransferase (NMT) is an important drug target, particularly for Plasmodium vivax. Therefore, it is of interest to describe the molecular docking analysis of N-myristoyl-transferase with small molecules from the ZINC database for screening potential anti-malarial drugs. Hence, we report four potential compounds namely ZINC37555319, ZINC41016284, ZINC41016205, and ZINC47160805 with acceptable ADME properties for further consideration.
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