Discovery of potent DNMT1 inhibitors against sickle cell disease using structural-based virtual screening, MM-GBSA and molecular dynamics simulation-based approaches-Reference-Cited by-同舟云学术

Discovery of potent DNMT1 inhibitors against sickle cell disease using structural-based virtual screening, MM-GBSA and molecular dynamics simulation-based approaches

Published:2023-04-16 Issue:1 Volume:42 Page:261-273
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Ala Chandu¹^ORCID,Joshi Renuka Parshuram¹^ORCID,Gupta Pragya²³^ORCID,Ramalingam Sivaprakash²³^ORCID,Sankaranarayanan Murugesan¹^ORCID

Affiliation:

1. Medicinal Chemistry Research Laboratory, Department of Pharmacy, Birla Institute of Technology and Science Pilani, Rajasthan, India

2. CSIR-Institute of Genomics and Integrative Biology, New Delhi, India

3. Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, India

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2199081

Reference47 articles.

1. Natural Products Impacting DNA Methyltransferases and Histone Deacetylases

2. Molecular simulations reveal the impact of RAMP1 on ligand binding and dynamics of calcitonin gene-related peptide receptor (CGRPR) heterodimer

3. Genotypic and Phenotypic Composition of Sickle Cell Disease in the Arab Population - A Systematic Review

4. Structure-based identification of SARS-CoV-2 main protease inhibitors from anti-viral specific chemical libraries: an exhaustive computational screening approach

5. DNA methylation: a saga of genome maintenance in hematological perspective

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