Sherin Rebecca F, Pon Nivedha Rajamanickam, Sharmila R
Department of Zoology, Jayaraj Annapackiam College for Women (Autonomous), Periyakulam, India.
Department of Biotechnology, Holy Cross College (Autonomous), Tiruchirappalli, India.
Bioinformation. 2021 Nov 30;17(11):944-948. doi: 10.6026/97320630017944. eCollection 2021.
Fungal infections have been increasing in recent years due to growing number of high-risk patients particularly immuno compromised hosts. Candida is the third- or fourth-most-common isolate in nosocomial bloodstream infections. The increase of fungal resistance to classical drugs, the treatment costs, and the fact that most available antifungal drugs have only fungistatic activity, justify the search for new strategies. Identification of therapeutic compounds from plants has been the centre of attraction ever since they were discovered. It is of interest to document the molecular docking analysis of bioactive compounds present in Mollugo cerviana (L.) SER with the DHFR protein target for antifungal activity. We show the optimal binding features of several compounds from the extract with in vivo and in vitro activities. Results of this showed that all compounds showed good antimicrobial activity and a very good antifungal activity against the target DHFR protein. So, these compounds may act as potential drug molecules after the experimental validation.
近年来，由于高危患者尤其是免疫功能低下宿主的数量不断增加，真菌感染呈上升趋势。念珠菌是医院血流感染中第三或第四常见的分离菌。真菌对传统药物耐药性的增加、治疗成本以及大多数现有抗真菌药物仅具有抑菌活性这一事实，使得寻找新的策略成为必要。自植物被发现以来，从植物中鉴定治疗性化合物一直是人们关注的焦点。记录绒毛粟米草（Mollugo cerviana (L.) SER）中存在的生物活性化合物与二氢叶酸还原酶（DHFR）蛋白靶点的分子对接分析以研究其抗真菌活性，这一点很有意义。我们展示了提取物中几种具有体内和体外活性的化合物的最佳结合特征。结果表明，所有化合物均表现出良好的抗菌活性以及对目标DHFR蛋白非常好的抗真菌活性。因此，经过实验验证后，这些化合物可能会成为潜在的药物分子。
