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Design, synthesis, in silico ADME, DFT, molecular dynamics simulation, anti-tyrosinase, and antioxidant activity of some of the 3-hydroxypyridin-4-one hybrids in combination with acylhydrazone derivatives.
Fazel R, Hassani B, Zare F, Jokar Darzi H, Khoshneviszadeh M, Poustforoosh A, Behrouz M, Sabet R, Sadeghpour H. Fazel R, et al. Among authors: sadeghpour h. J Biomol Struct Dyn. 2023 Sep 7:1-11. doi: 10.1080/07391102.2023.2252087. Online ahead of print. J Biomol Struct Dyn. 2023. PMID: 37674457
Structure-based virtual screening, molecular docking, molecular dynamics simulation and MM/PBSA calculations towards identification of steroidal and non-steroidal selective glucocorticoid receptor modulators.
Zare F, Solhjoo A, Sadeghpour H, Sakhteman A, Dehshahri A. Zare F, et al. Among authors: sadeghpour h. J Biomol Struct Dyn. 2023 Sep-Oct;41(16):7640-7650. doi: 10.1080/07391102.2022.2123392. Epub 2022 Sep 22. J Biomol Struct Dyn. 2023. PMID: 36134594
23 results