INTERACTION OF PTERIDOPHYTIC BIOACTIVE COMPOUNDS WITH FUNGAL DIHYDROFOLATE REDUCTASE ENZYME AS INHIBITOR

Q4 Pharmacology, Toxicology and Pharmaceutics Ankara Universitesi Eczacilik Fakultesi Dergisi Pub Date : 2023-08-18 DOI:10.33483/jfpau.1270767
Manohardeep Singh, Mansi Raghav, Akanksha Si̇ngh, Akanksha Kumari̇, Prıya Bansal, S. Prakash, Abhishek Kumar
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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. 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.
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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
目的:真菌感染是一种较为常见的真菌感染,主要侵袭免疫抑制患者和正在接受治疗的患者。这些病原体通过不同的途径发挥作用,比如二氢叶酸还原酶(DHFR)在叶酸合成途径中起作用,叶酸合成途径负责DNA合成。从早期开始,草药就被用于治疗这些真菌感染,并已经过测试。先前的研究已经揭示了利用蕨类植物的生物活性分子来证明抗真菌活性。材料与方法:从现有植物文库中筛选出具有活性成分的蕨类植物。利用PyRx程序(印度)对DHFR靶点(PDB ID: 6DRS和PDB ID: 3QLW)进行了硅片研究,以确定生物活性分子对该真菌菌株的亲和力。结果与讨论:与11个对选定靶蛋白具有活性的生物活性分子进行了分子对接。因此,我们可以得出结论,所选择的生物活性分子对真菌菌株具有活性,可以进一步进行体内和体外研究。
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来源期刊
Ankara Universitesi Eczacilik Fakultesi Dergisi
Ankara Universitesi Eczacilik Fakultesi Dergisi Pharmacology, Toxicology and Pharmaceutics-Pharmaceutical Science
CiteScore
0.80
自引率
0.00%
发文量
70
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