Exploring the Potential of Coumarins against the Flavoenzyme DprE1 forAnti-TB Activity: Insights from Molecular Docking, In silico Druglikeness,ADMET, MD Simulations, MMGBSA, and DFT Studies

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journal：Current Enzyme Inhibition

Authors：Swaranjali Pawar; Rutika Patil; Somdatta Chaudhari; Kishan Haval; Deepak Mahuli; Ashok Aspatwar; Prafulla Choudhari; Yasinalli Tamboli

Published date：2026-3-16

DOI：10.2174/0115734080394276251128040614

PDF link：https://www.eurekaselect.com/art ... 0394276251128040614

Article link：https://doi.org/10.2174/0115734080394276251128040614

Article Source：Bentham Science Publishers Ltd.。

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[Bentham] Exploring the Potential of Coumarins against the Flavoenzyme DprE1 forAnti-TB Activity: Insights from Molecular Docking, In silico Druglikeness,ADMET, MD Simulations, MMGBSA, and DFT Studies

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[Bentham] Exploring the Potential of Coumarins against the Flavoenzyme DprE1 forAnti-TB Activity: Insights from Molecular Docking, In silico Druglikeness,ADMET, MD Simulations, MMGBSA, and DFT Studies Copy

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[Bentham] Exploring the Potential of Coumarins against the Flavoenzyme DprE1 forAnti-TB Activity: Insights from Molecular Docking, In silico Druglikeness,ADMET, MD Simulations, MMGBSA, and DFT Studies