Identification of Potential Hits against Fungal Lysine Deacetylase Rpd3 via Molecular Docking, Molecular Dynamics Simulation, DFT, In-Silico ADMET and Drug-Likeness Assessment-Reference-Cited by-同舟云学术

Identification of Potential Hits against Fungal Lysine Deacetylase Rpd3 via Molecular Docking, Molecular Dynamics Simulation, DFT, In-Silico ADMET and Drug-Likeness Assessment

Published:2023-08-23 Issue: Volume: Page:
ISSN:2522-5758
Container-title:Chemistry Africa
language:en
Short-container-title:Chemistry Africa

Author:

Rathod Sanket^ORCID,Bhande Diksha^ORCID,Pawar Swaranjali^ORCID,Gumphalwad Kondba^ORCID,Choudhari Prafulla^ORCID,More Harinath^ORCID

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry,Environmental Chemistry,Chemistry (miscellaneous),Catalysis

Link

https://link.springer.com/content/pdf/10.1007/s42250-023-00766-5.pdf

Reference72 articles.

1. Garnaud C, Champleboux M, Maubon D et al (2016) Histone deacetylases and their inhibition in Candida species. Front Microbiol. https://doi.org/10.3389/fmicb.2016.01238

2. Kuchler K, Jenull S, Shivarathri R, Chauhan N (2016) Fungal KATs/KDACs: a new highway to better antifungal drugs? PLoS Pathog 12:e1005938

3. Bauer I, Graessle S (2021) Fungal lysine deacetylases in virulence, resistance, and production of small bioactive compounds. Genes 12:1470

4. Kmetzsch L (2015) Histone deacetylases: Targets for antifungal drug development. Virulence 6:535. https://doi.org/10.1080/21505594.2015.1049807

5. Li X, Cai Q, Mei H et al (2015) The Rpd3/Hda1 family of histone deacetylases regulates azole resistance in Candida albicans. J Antimicrob Chemother 70:1993–2003. https://doi.org/10.1093/jac/dkv070

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