Yeni Yeni, Rizky Rizky Arcinthya Rachmania, Dicky Yanuar M R Mochamad
{"title":"Hemigraphis Alternata (Burm.F.)中化合物的亲和力叶下对环氧合酶1 (COX-1)的反应","authors":"Yeni Yeni, Rizky Rizky Arcinthya Rachmania, Dicky Yanuar M R Mochamad","doi":"10.2991/AHSR.K.210115.107","DOIUrl":null,"url":null,"abstract":"Inflammation is an important biological process for eradicating pathogens and maintaining tissue homeostasis. Cyclooxygenase 1 (COX-1) is one of the pharmacological targets for anti-inflammatory drugs. The purposes of this study was to predict the affinity of 23 compounds contained in Hemigraphis alternata leaves in inhibiting COX-1. The compounds of Hemigraphis alternata leaves were screened for its affinity towards COX-1 using docking software, DOCK 6.9, with aspirin as the reference. Based on the Grid score, the greatest binding affinity is referred to 3,7,11,15-tetramethyl-2-hexadecen-1-ol. It is better than affinity of aspirin to COX-1. The study showed that Hemigraphis alternata leaves contain potential active components that could be developed as COX-1-inhibitor.","PeriodicalId":222657,"journal":{"name":"Proceedings of the 4th International Conference on Sustainable Innovation 2020–Health Science and Nursing (ICoSIHSN 2020)","volume":"17 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2021-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"2","resultStr":"{\"title\":\"Affinity of Compounds in Hemigraphis Alternata (Burm.F.) T. Ander Leaves to Cyclooxygenase 1 (COX-1): In Silico Approach\",\"authors\":\"Yeni Yeni, Rizky Rizky Arcinthya Rachmania, Dicky Yanuar M R Mochamad\",\"doi\":\"10.2991/AHSR.K.210115.107\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Inflammation is an important biological process for eradicating pathogens and maintaining tissue homeostasis. Cyclooxygenase 1 (COX-1) is one of the pharmacological targets for anti-inflammatory drugs. The purposes of this study was to predict the affinity of 23 compounds contained in Hemigraphis alternata leaves in inhibiting COX-1. The compounds of Hemigraphis alternata leaves were screened for its affinity towards COX-1 using docking software, DOCK 6.9, with aspirin as the reference. Based on the Grid score, the greatest binding affinity is referred to 3,7,11,15-tetramethyl-2-hexadecen-1-ol. It is better than affinity of aspirin to COX-1. The study showed that Hemigraphis alternata leaves contain potential active components that could be developed as COX-1-inhibitor.\",\"PeriodicalId\":222657,\"journal\":{\"name\":\"Proceedings of the 4th International Conference on Sustainable Innovation 2020–Health Science and Nursing (ICoSIHSN 2020)\",\"volume\":\"17 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2021-01-16\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"2\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Proceedings of the 4th International Conference on Sustainable Innovation 2020–Health Science and Nursing (ICoSIHSN 2020)\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.2991/AHSR.K.210115.107\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Proceedings of the 4th International Conference on Sustainable Innovation 2020–Health Science and Nursing (ICoSIHSN 2020)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2991/AHSR.K.210115.107","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Affinity of Compounds in Hemigraphis Alternata (Burm.F.) T. Ander Leaves to Cyclooxygenase 1 (COX-1): In Silico Approach
Inflammation is an important biological process for eradicating pathogens and maintaining tissue homeostasis. Cyclooxygenase 1 (COX-1) is one of the pharmacological targets for anti-inflammatory drugs. The purposes of this study was to predict the affinity of 23 compounds contained in Hemigraphis alternata leaves in inhibiting COX-1. The compounds of Hemigraphis alternata leaves were screened for its affinity towards COX-1 using docking software, DOCK 6.9, with aspirin as the reference. Based on the Grid score, the greatest binding affinity is referred to 3,7,11,15-tetramethyl-2-hexadecen-1-ol. It is better than affinity of aspirin to COX-1. The study showed that Hemigraphis alternata leaves contain potential active components that could be developed as COX-1-inhibitor.