Unveiling Calotropis procera’s promising wound healing secrets by QSAR, molecular docking, DFT and ADMET profiling

Unveiling Calotropis procera’s promising wound healing secrets by QSAR, molecular docking, DFT and ADMET profiling

Abstract This research work comprises the computational analysis of natural compounds from Calotropis procera analyzed on the basis of their wound healing properties. 3D Quantitative structure activity relationship (QSAR) models were generated with statistical validation which was followed by leadin...

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Bibliographic Details
Main Authors: Maryam Rashid, Neha Sajjad, Nusrat Shafiq, Shagufta Parveen, Erum Chaudhry, Rashid Ahmed Khan, Pravin Badhe, Mohammed H. AL Mughram, Musaab Dauelbait, Mohammed Bourhia
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Scientific Reports
Subjects:
Cephalexin
Dicloxacillin
Factor-α (TNF-α)
Levofloxacin
Stigmasterol
Online Access:https://doi.org/10.1038/s41598-025-06822-z
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