In silico investigation of falcipain-2 inhibition by hybrid benzimidazole-thiosemicarbazone antiplasmodial agents: A molecular docking, molecular dynamics simulation, and kinetics study-Reference-Cited by-同舟云学术

In silico investigation of falcipain-2 inhibition by hybrid benzimidazole-thiosemicarbazone antiplasmodial agents: A molecular docking, molecular dynamics simulation, and kinetics study

Published:2023-01-09 Issue: Volume: Page:
ISSN:1381-1991
Container-title:Molecular Diversity
language:en
Short-container-title:Mol Divers

Author:

Nkungli Nyiang Kennet^ORCID,Fouegue Aymard Didier Tamafo,Tasheh Stanley Numbonui,Bine Fritzgerald Kogge,Hassan Abrar Ul,Ghogomu Julius Numbonui

Publisher

Springer Science and Business Media LLC

Subject

Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Drug Discovery,Molecular Biology,General Medicine,Information Systems,Catalysis

Link

https://link.springer.com/content/pdf/10.1007/s11030-022-10594-3.pdf

Reference92 articles.

1. Olivier M, Van Den Ham K, Shio MT, Kassa FA, Fougeray S (2014) Malarial pigment hemozoin and the innate inflammatory response. Front Immunol. https://doi.org/10.3389/fimmu.2014.00025

2. Mishra M, Singh V, Singh S (2019) Structural insights into key plasmodium proteases as therapeutic drug targets. Front Microbiol. https://doi.org/10.3389/fmicb.2019.00394

3. Rifaie-Graham O, Pollard J, Raccio S, Balog S, Rusch S, Hernández-Castañeda MA, Mantel P-Y, Beck H-P, Bruns N (2019) Hemozoin-catalyzed precipitation polymerization as an assay for malaria diagnosis. Nat Commun. https://doi.org/10.1038/s41467-019-09122-z

4. Coronado LM, Nadovich CT, Spadafora C (2014) Malarial hemozoin: from target to tool. Biochimica et Biophysica Acta (BBA) 1840(6):2032–2041. https://doi.org/10.1016/j.bbagen.2014.02.009

5. Alberca LN, Chuguransky SR, Álvarez CL, Talevi A, Salas-Sarduy E (2019) In silico guided drug repurposing: discovery of new competitive and non-competitive inhibitors of falcipain-2. Front Chem. https://doi.org/10.3389/fchem.2019.00534

Cited by 8 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Experimental and theoretical quantum chemical studies of 2-(2-acetamidophenyl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide and its copper(II) complex: molecular docking simulation of the designed coordinated ligand with insulin-like growth factor-1 receptor (IGF-1R);BMC Chemistry;2024-06-13

2. Exploration of morpholine-thiophene hybrid thiosemicarbazones for the treatment of ureolytic bacterial infections via targeting urease enzyme: Synthesis, biochemical screening and computational analysis;Frontiers in Chemistry;2024-05-24

3. Identification of Phytochemical Inhibitors Targeting VEGFA and TGFBR2 of Cervical Cancer: Insights from Virtual Screening, ADMET and DFT Studies;ChemistrySelect;2024-04-26

4. In vitro and In silico Studies of Kayu Raja (Cassia fistula L.) Leaves Extract as Potential Antifungal Agent Against Candida albicans;Jurnal Kimia Sains dan Aplikasi;2023-11-26

5. Synthesis, spectroscopic characterization, molecular studies, and biological evaluation of (E)-N'-((7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methylene)morpholine-4-carbothiohydrazide and some of its transition metal complexes;Inorganica Chimica Acta;2023-09