In silico development of novel angiotensin-converting-enzyme-I inhibitors by Monte Carlo optimization based QSAR modeling, molecular docking studies and ADMET predictions-Reference-Cited by-同舟云学术

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In silico development of novel angiotensin-converting-enzyme-I inhibitors by Monte Carlo optimization based QSAR modeling, molecular docking studies and ADMET predictions

Published:2024-10 Issue: Volume:112 Page:108167
ISSN:1476-9271
Container-title:Computational Biology and Chemistry
language:en
Short-container-title:Computational Biology and Chemistry

Author:

Šarić Sandra,Kostić Tomislav,Lović Milan,Aleksić Ivana,Hristov Dejan,Šarac Miljana,Veselinović Aleksandar M.

Funder

Faculty of Medicine, University of Niš

Science Fund of the Republic of Serbia

Ministry of Science and Environmental Protection

Republika Srbija Ministarstvo prosvete nauke i tehnoloskog razvoja

Publisher

Elsevier BV

Reference32 articles.

1. Reliable structural information for rational design of benzoxazole type potential cholesteryl ester transfer protein (CETP) inhibitors through multiple validated modeling techniques;Amin;J. Biomol. Struct. Dyn.,2019

2. Angiotensin converting enzyme inhibition in cardiovascular risk populations: a practical approach to identify the patient who will benefit most;Asselbergs;Curr. Opin. Cardiol.,2007

3. Correlation intensity index-index of ideality of correlation: a hyphenated target function for furtherance of MAO-B inhibitory activity assessment;Bhawna;Comput. Biol. Chem.,2024

4. The angiotensin converting enzyme (ACE);Coates;Int. J. Biochem. Cell Biol.,2003

5. SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules;Daina;Sci. Rep.,2017

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