Pharmacophore and structure-based drug design, molecular dynamics and admet/tox studies to design novel potential pad4 inhibitors-Reference-Cited by-同舟云学术

Pharmacophore and structure-based drug design, molecular dynamics and admet/tox studies to design novel potential pad4 inhibitors

Published:2018-03-12 Issue:4 Volume:37 Page:966-981
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Barcellos Mariana P.¹,Santos Cleydson B. R.²,Federico Leonardo B.¹,Almeida Paulo Fernando de³,da Silva Carlos H. T. de Paula.¹,Taft Carlton A.⁴

Affiliation:

1. Faculdade de Ciências Farmacêuticas de Ribeirão Preto, Universidade de São Paulo, Av. do café, s/n, Ribeirão Preto-SP 14040-903, Brazil

2. Laboratório de Modelagem e Química Computacional, Universidade Federal do Amapá, Rod. JK Km 2, Macapá-AP 68902-280, Brazil

3. Departamento de Ciências da Biointeração, Instituto de Ciencias da Saude, Universidade Federal de Bahia, Av Reitor Miguel Calmon, s/n, Salvador 40-300-100, BA, Brazil

4. Centro Brasileiro de Pesquisas Físicas (CBPF), Rua Dr. Xavier Sigaud, 150, Urca, Rio de Janeiro-RJ 22290-180, Brazil

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Fundação de Amparo à Pesquisa do Estado de São Paulo

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2018.1444511

Reference30 articles.

1. d-Amino Acid-Based Protein Arginine Deiminase Inhibitors: Synthesis, Pharmacokinetics, and in Cellulo Efficacy

2. Ligand and Structure-Based Drug Design as Strategies for the Screening of New BACE1 Inhibitor Candidates

3. Molecular Dynamics, Density Functional Theory, Pharmacophore Modeling, Molecular Interaction Fields and ADME/Tox Investigation of Novel Bioactive Compounds Interacting with CDK2 Surfaces

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