Computational studies of Salvurmin A and Salvurmin B, two ursane triterpenoids of Salvia Urmiensis as anti-cancer agents: molecular docking, molecular dynamic simulation, and DFT and ADMET analysis

Shima Hashemia Department of Pharmacognosy, School of Pharmacy, Shiraz University of Medical Sciences, Shiraz, IranView further author information

Hassan Seradja Department of Pharmacognosy, School of Pharmacy, Shiraz University of Medical Sciences, Shiraz, IranView further author information

Saman Zare Gheshlaghib Department of Chemistry, Computational Quantum Chemistry Laboratory, University of Sistan and Baluchestan, Zahedan, IranView further author information

Marzieh Behrouzc Department of Chemistry, Shiraz University of Technology, Shiraz, Iran

Asiyeh Shahrakib Department of Chemistry, Computational Quantum Chemistry Laboratory, University of Sistan and Baluchestan, Zahedan, IranView further author information

Leila Emamid Pharmaceutical Sciences Research Center, Shiraz University of Medical Sciences, Shiraz, IranCorrespondence[email protected]
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