Multicomplex-based pharmacophore modeling in conjunction with multi-target docking and molecular dynamics simulations for the identification of PfDHFR inhibitors-Reference-Cited by-同舟云学术

Multicomplex-based pharmacophore modeling in conjunction with multi-target docking and molecular dynamics simulations for the identification of PfDHFR inhibitors

Published:2019-01-16 Issue:16 Volume:37 Page:4181-4199
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Manhas Anu¹^ORCID,Lone Mohsin Y.¹²^ORCID,Jha Prakash C.³^ORCID

Affiliation:

1. School of Chemical Sciences, Central University of Gujarat, Gandhinagar, Gujarat, India;

2. Department of Chemistry, Indian Institute of Technology Gandhinagar, Gandhinagar, Gujarat, India;

3. Centre for Applied Chemistry, Central University of Gujarat, Gandhinagar, Gujarat, India

Funder

Science and Engineering Research Board (SERB), Department of Science and Technology

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2018.1540362

Reference98 articles.

1. Origins of the specificity of inhibitor P218 toward wild-type and mutantPfDHFR: a molecular dynamics analysis

2. Design and synthesis of guanylthiourea derivatives as potential inhibitors of Plasmodium falciparum dihydrofolate reductase enzyme

3. 3D-QSAR analysis of cycloguanil derivatives as inhibitors of A16V+S108T mutant Plasmodium falciparum dihydrofolate reductase enzyme

4. Binding modes of 2,4-diaminoquinazoline and 2,4-diaminopteridine analogs to P. falciparum dihydrofolate reductase enzyme: Molecular docking studies

5. Computer-aided molecular design of 1H-imidazole-2,4-diamine derivatives as potential inhibitors of Plasmodium falciparum DHFR enzyme

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