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Molecular docking analysis of bioactive compounds from Mollugo cerviana (L.) SER with DHFR for antifungal activity



F Sherin Rebecca1, Rajamanickam Pon Nivedha2 & R Sharmila3,*



1Department of Zoology, Jayaraj Annapackiam College for Women (Autonomous), Periyakulam; India; 2Department of Biotechnology, Holy Cross College (Autonomous), Tiruchirappalli; India; 3Department of Biotechnology, Bishop Heber College, Tiruchirappalli; India; *Corresponding author



Rebecca Sharmila - Email: sharmilabhc@gmail.com


Article Type

Research Article



Received October 1, 2021; Revised October 24, 2021; Accepted October 24, 2021, Published November 30, 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.



Aspergillus niger, Candida albicans, Mollugo cerviana, DHFR, Molecular docking



Rebecca et al. Bioinformation 17(11): 944-948 (2021)


Edited by

P Kangueane






Biomedical Informatics



This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.