In-silico studies of hydroxyxanthone derivatives as potential pfDHFR and pfDHODH inhibitor by molecular docking, molecular dynamics simulation, MM-PBSA calculation and pharmacokinetics prediction
The investigation of hydroxyxanthone derivatives has been conducted, including molecular docking, molecular dynamics simulation MM-PBSA binding energy calculation, and pharmacokinetics prediction of the potential plasmodium falciparum dihydrofolate reductase (pfDHFR) and plasmodium falciparum dihydr...
Main Authors: | , , , , |
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Format: | Article |
Language: | English |
Published: |
Elsevier
2024-01-01
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Series: | Informatics in Medicine Unlocked |
Subjects: | |
Online Access: | http://www.sciencedirect.com/science/article/pii/S2352914824000418 |