Trina Ekawati Tallei, Nurdjannah Jane Niode, Nur Balqis Maulydia, Arthur Gehard Pinaria, Rinaldi Idroes, Stephanie Lukita
{"title":"基于网络药理学的淋病奈瑟菌免疫幼虫关键代谢物鉴定","authors":"Trina Ekawati Tallei, Nurdjannah Jane Niode, Nur Balqis Maulydia, Arthur Gehard Pinaria, Rinaldi Idroes, Stephanie Lukita","doi":"10.3923/pjbs.2025.283.294","DOIUrl":null,"url":null,"abstract":"<p><p><b>Background and Objective:</b> Gonorrhoea, caused by <i>Neisseria gonorrhoeae</i>, continues to pose a major global health threat due to the rising incidence of antibiotic resistance. This study aimed to explore the potential of metabolites derived from immunized larvae of <i>Rhynchophorus</i> sp., as alternative therapeutic agents for the treatment of gonorrhea. <b>Materials and Methods:</b> Liquid Chromatography-Mass Spectrometry/Mass Spectrometry (LC-MS/MS) was used to identify metabolites from the hemolymph of larvae immunized with non-pathogenic <i>Escherichia coli</i>. Subsequently, key molecular targets of these metabolites were identified through network pharmacology and molecular docking approaches. <b>Results:</b> Metabolite interaction networks revealed L-glutamic acid as the compound with the highest degree of interaction (25) among the 15 identified amino acid-derived metabolites. Further analysis of gene interactions identified <i>guaA</i>, which encodes guanosine monophosphate synthetase, as having the highest degree of interaction (27). Binding-free energy of identified metabolites, with L-tryptophan showing the highest binding free energy of -5.9 kcal/mol in the guanosine monophosphate receptor. <b>Conclusion:</b> The study identifies guanosine monophosphate synthetase (GMPS) as a promising target for combating gonorrhea, with L-tryptophan showing potential as a lead compound. Targeting GMPS disrupts critical metabolic pathways in <i>N. gonorrhea</i>, offering a novel approach against antibiotic-resistant strains. By integrating metabolite analysis, network pharmacology and molecular docking, the study provides a comprehensive framework for drug discovery. This multidisciplinary strategy advances the development of effective therapies for antibiotic-resistant pathogens.</p>","PeriodicalId":19800,"journal":{"name":"Pakistan Journal of Biological Sciences","volume":"28 5","pages":"283-294"},"PeriodicalIF":0.0000,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Network Pharmacology-Based Identification of Key Metabolites from Immunized <i>Rhynchophorus</i> Larvae as Therapeutic Agents Against Antibiotic-Resistant <i>Neisseria gonorrhoea</i>.\",\"authors\":\"Trina Ekawati Tallei, Nurdjannah Jane Niode, Nur Balqis Maulydia, Arthur Gehard Pinaria, Rinaldi Idroes, Stephanie Lukita\",\"doi\":\"10.3923/pjbs.2025.283.294\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p><b>Background and Objective:</b> Gonorrhoea, caused by <i>Neisseria gonorrhoeae</i>, continues to pose a major global health threat due to the rising incidence of antibiotic resistance. This study aimed to explore the potential of metabolites derived from immunized larvae of <i>Rhynchophorus</i> sp., as alternative therapeutic agents for the treatment of gonorrhea. <b>Materials and Methods:</b> Liquid Chromatography-Mass Spectrometry/Mass Spectrometry (LC-MS/MS) was used to identify metabolites from the hemolymph of larvae immunized with non-pathogenic <i>Escherichia coli</i>. Subsequently, key molecular targets of these metabolites were identified through network pharmacology and molecular docking approaches. <b>Results:</b> Metabolite interaction networks revealed L-glutamic acid as the compound with the highest degree of interaction (25) among the 15 identified amino acid-derived metabolites. Further analysis of gene interactions identified <i>guaA</i>, which encodes guanosine monophosphate synthetase, as having the highest degree of interaction (27). Binding-free energy of identified metabolites, with L-tryptophan showing the highest binding free energy of -5.9 kcal/mol in the guanosine monophosphate receptor. <b>Conclusion:</b> The study identifies guanosine monophosphate synthetase (GMPS) as a promising target for combating gonorrhea, with L-tryptophan showing potential as a lead compound. Targeting GMPS disrupts critical metabolic pathways in <i>N. gonorrhea</i>, offering a novel approach against antibiotic-resistant strains. By integrating metabolite analysis, network pharmacology and molecular docking, the study provides a comprehensive framework for drug discovery. This multidisciplinary strategy advances the development of effective therapies for antibiotic-resistant pathogens.</p>\",\"PeriodicalId\":19800,\"journal\":{\"name\":\"Pakistan Journal of Biological Sciences\",\"volume\":\"28 5\",\"pages\":\"283-294\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2025-04-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Pakistan Journal of Biological Sciences\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.3923/pjbs.2025.283.294\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"Agricultural and Biological Sciences\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Pakistan Journal of Biological Sciences","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.3923/pjbs.2025.283.294","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"Agricultural and Biological Sciences","Score":null,"Total":0}
Network Pharmacology-Based Identification of Key Metabolites from Immunized Rhynchophorus Larvae as Therapeutic Agents Against Antibiotic-Resistant Neisseria gonorrhoea.
<b>Background and Objective:</b> Gonorrhoea, caused by <i>Neisseria gonorrhoeae</i>, continues to pose a major global health threat due to the rising incidence of antibiotic resistance. This study aimed to explore the potential of metabolites derived from immunized larvae of <i>Rhynchophorus</i> sp., as alternative therapeutic agents for the treatment of gonorrhea. <b>Materials and Methods:</b> Liquid Chromatography-Mass Spectrometry/Mass Spectrometry (LC-MS/MS) was used to identify metabolites from the hemolymph of larvae immunized with non-pathogenic <i>Escherichia coli</i>. Subsequently, key molecular targets of these metabolites were identified through network pharmacology and molecular docking approaches. <b>Results:</b> Metabolite interaction networks revealed L-glutamic acid as the compound with the highest degree of interaction (25) among the 15 identified amino acid-derived metabolites. Further analysis of gene interactions identified <i>guaA</i>, which encodes guanosine monophosphate synthetase, as having the highest degree of interaction (27). Binding-free energy of identified metabolites, with L-tryptophan showing the highest binding free energy of -5.9 kcal/mol in the guanosine monophosphate receptor. <b>Conclusion:</b> The study identifies guanosine monophosphate synthetase (GMPS) as a promising target for combating gonorrhea, with L-tryptophan showing potential as a lead compound. Targeting GMPS disrupts critical metabolic pathways in <i>N. gonorrhea</i>, offering a novel approach against antibiotic-resistant strains. By integrating metabolite analysis, network pharmacology and molecular docking, the study provides a comprehensive framework for drug discovery. This multidisciplinary strategy advances the development of effective therapies for antibiotic-resistant pathogens.
期刊介绍:
Pakistan Journal of Biological Sciences (PJBS) is an international, peer-reviewed and well indexed scientific journal seeks to promote and disseminate the knowledge of biological sciences by publishing outstanding research in the field. Scope of the journal includes: Cell biology, developmental biology, structural biology, microbiology, entomology, toxicology, molecular biology & genetics, biochemistry, biotechnology, biodiversity, ecology, marine biology, plant biology and bioinformatics.