Exploring Aspartic Protease Inhibitor Binding to Design Selective Antimalarials-Reference-Cited by-同舟云学术

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Exploring Aspartic Protease Inhibitor Binding to Design Selective Antimalarials

Published:2022-06-17 Issue:13 Volume:62 Page:3263-3273
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Bobrovs Raitis¹^ORCID,Basens Emils Edgars¹,Drunka Laura¹,Kanepe Iveta¹,Matisone Sofija¹,Velins Karlis Kristofers¹,Andrianov Victor¹,Leitis Gundars¹,Zelencova-Gopejenko Diana¹^ORCID,Rasina Dace¹^ORCID,Jirgensons Aigars¹^ORCID,Jaudzems Kristaps¹^ORCID

Affiliation:

1. Latvian Institute of Organic Synthesis, Aizkraukles 21, Riga LV1006, Latvia

Funder

European Regional Development Fund

Latvijas Zinatnes Padome

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c00422

Reference74 articles.

1. Aspartic proteases of Plasmodium falciparum and other parasitic protozoa as drug targets

2. Proteases of Protozoan Parasites

3. Targeting proteases: successes, failures and future prospects

4. Aspartic Proteases in Drug Discovery

5. Dual Plasmepsin-Targeting Antimalarial Agents Disrupt Multiple Stages of the Malaria Parasite Life Cycle

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1. AlphaFold-SFA: Accelerated sampling of cryptic pocket opening, protein-ligand binding and allostery by AlphaFold, slow feature analysis and metadynamics;PLOS ONE;2024-08-27

2. Exploring the Binding Pathway of Novel Nonpeptidomimetic Plasmepsin V Inhibitors;Journal of Chemical Information and Modeling;2023-10-06

3. No dance, no partner! A tale of receptor flexibility in docking and virtual screening;Virtual Screening and Drug Docking;2022

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