{"title":"蕨类植物生物活性化合物与真菌二氢叶酸还原酶抑制剂的相互作用","authors":"Manohardeep Singh, Mansi Raghav, Akanksha Si̇ngh, Akanksha Kumari̇, Prıya Bansal, S. Prakash, Abhishek Kumar","doi":"10.33483/jfpau.1270767","DOIUrl":null,"url":null,"abstract":"Objective: Fungal infections which are relatively common mainly invades the body of an immunosuppressed patients and people undergoing therapy. These pathogens act through different pathways like the Dihydrofolate reductase (DHFR) has a role in the folate synthetic pathway which is responsible for DNA synthesis. Since the early ages herbal remedies were used and have been tested for treating these fungal infections. Previous studies have revealed the use of bioactive molecules of pteridophytes to demonstrate antifungal activity. \nMaterial and Method: In the present study different pteridophytes were selected from available library which showed the presence of bioactive phytoconstituents. In-silico studies on DHFR target (PDB ID: 6DRS and PDB ID: 3QLW) was carried out using PyRx program (India) to determine the affinity of bioactive molecules against the fungal strain. \nResult and Discussion: Molecular docking was performed with 11 bioactive molecules showing activity against the selected target proteins. So, we can conclude that the selected bioactive molecules are active against fungal strain and can be further investigated for both in-vivo and in-vitro studies.","PeriodicalId":7891,"journal":{"name":"Ankara Universitesi Eczacilik Fakultesi Dergisi","volume":" ","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2023-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"INTERACTION OF PTERIDOPHYTIC BIOACTIVE COMPOUNDS WITH FUNGAL DIHYDROFOLATE REDUCTASE ENZYME AS INHIBITOR\",\"authors\":\"Manohardeep Singh, Mansi Raghav, Akanksha Si̇ngh, Akanksha Kumari̇, Prıya Bansal, S. Prakash, Abhishek Kumar\",\"doi\":\"10.33483/jfpau.1270767\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Objective: Fungal infections which are relatively common mainly invades the body of an immunosuppressed patients and people undergoing therapy. These pathogens act through different pathways like the Dihydrofolate reductase (DHFR) has a role in the folate synthetic pathway which is responsible for DNA synthesis. Since the early ages herbal remedies were used and have been tested for treating these fungal infections. Previous studies have revealed the use of bioactive molecules of pteridophytes to demonstrate antifungal activity. \\nMaterial and Method: In the present study different pteridophytes were selected from available library which showed the presence of bioactive phytoconstituents. In-silico studies on DHFR target (PDB ID: 6DRS and PDB ID: 3QLW) was carried out using PyRx program (India) to determine the affinity of bioactive molecules against the fungal strain. \\nResult and Discussion: Molecular docking was performed with 11 bioactive molecules showing activity against the selected target proteins. So, we can conclude that the selected bioactive molecules are active against fungal strain and can be further investigated for both in-vivo and in-vitro studies.\",\"PeriodicalId\":7891,\"journal\":{\"name\":\"Ankara Universitesi Eczacilik Fakultesi Dergisi\",\"volume\":\" \",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-08-18\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Ankara Universitesi Eczacilik Fakultesi Dergisi\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.33483/jfpau.1270767\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"Pharmacology, Toxicology and Pharmaceutics\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Ankara Universitesi Eczacilik Fakultesi Dergisi","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.33483/jfpau.1270767","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"Pharmacology, Toxicology and Pharmaceutics","Score":null,"Total":0}
INTERACTION OF PTERIDOPHYTIC BIOACTIVE COMPOUNDS WITH FUNGAL DIHYDROFOLATE REDUCTASE ENZYME AS INHIBITOR
Objective: Fungal infections which are relatively common mainly invades the body of an immunosuppressed patients and people undergoing therapy. These pathogens act through different pathways like the Dihydrofolate reductase (DHFR) has a role in the folate synthetic pathway which is responsible for DNA synthesis. Since the early ages herbal remedies were used and have been tested for treating these fungal infections. Previous studies have revealed the use of bioactive molecules of pteridophytes to demonstrate antifungal activity.
Material and Method: In the present study different pteridophytes were selected from available library which showed the presence of bioactive phytoconstituents. In-silico studies on DHFR target (PDB ID: 6DRS and PDB ID: 3QLW) was carried out using PyRx program (India) to determine the affinity of bioactive molecules against the fungal strain.
Result and Discussion: Molecular docking was performed with 11 bioactive molecules showing activity against the selected target proteins. So, we can conclude that the selected bioactive molecules are active against fungal strain and can be further investigated for both in-vivo and in-vitro studies.