Investigation of potential anti-malarial lead candidate 2-(4-fluorobenzylthio)-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole: Insights from crystal structure, DFT, QTAIM and hybrid QM/MM binding energy analysis-Reference-Cited by-同舟云学术

Investigation of potential anti-malarial lead candidate 2-(4-fluorobenzylthio)-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole: Insights from crystal structure, DFT, QTAIM and hybrid QM/MM binding energy analysis

Published:2019-01 Issue: Volume:1175 Page:230-240
ISSN:0022-2860
Container-title:Journal of Molecular Structure
language:en
Short-container-title:Journal of Molecular Structure

Author:

Al-Wahaibi Lamya H.,Santhosh Kumar Nandakumar,El-Emam Ali A.,Venkataramanan Natarajan S.^ORCID,Ghabbour Hazem A.^ORCID,Al-Tamimi Abdul-Malek S.,Percino Judith,Thamotharan Subbiah^ORCID

Funder

Princess Nourah Bint Abdulrahman University

DST-SERB

Publisher

Elsevier BV

Subject

Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry

Reference53 articles.

1. Review of synthesis of 1,3,4-oxadiazole derivatives;Patel;Synth. Commun.,2014

2. Structure and cytotoxicity of phidianidines A and B: first finding of 1,2,4-oxadiazole system in a marine natural product;Carbone;Org. Lett.,2011

3. Concise total synthesis of phidianidine A and B;Buchanan;Tetrahedron Lett.,2013

4. Synthesis and antibacterial activity of 5-aryl-2-[(α-chloro-α-phenylacetyl/α-bromopropionyl)amino]-1,3,4-oxadiazoles and 2-[(5-aryl-1,3,4-oxadiazol-2-yl)imino]-5-phenyl/methyl-4-thiazolidinones;Ates;Drug Res.,1997

5. Synthesis and antibacterial studies of a new series of 1,2-bis(1,3,4-oxadiazole-2-yl)ethanes and 1,2-bis(4-amino-1,2,4-triazol-3-yl)ethanes;Holla;Eur. J. Med. Chem.,2000

Cited by 23 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. Exploring the effect of substituents on the supramolecular assemblies built by non-covalent interactions in three closely related 1,3,4-oxadiazole-2(3H)-thione derivatives: An evaluation of antimicrobial and anti-proliferative activities;Journal of Molecular Structure;2024-04

2. A new 1,2,4-triazine-n-oxide compound: Synthesis, crystal structure, Hirshfeld surface analysis and supercapacitor applications;Journal of Molecular Structure;2024-01

3. Crystal structure of 2-[(4-bromobenzyl)thio]-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole, C₁₃H₈Br₂N₂OS₂;Zeitschrift für Kristallographie - New Crystal Structures;2023-07-05

4. Mn(II) assisted synthesis of N-phenyl-5-(pyridin-3-yl)-1,3,4-oxadiazol-2-amine and evaluation of its antiproliferative activity;Journal of Molecular Structure;2023-06

5. A combined crystallographic and theoretical investigation of noncovalent interactions in 1,3,4-oxadiazole-2-thione-N-Mannich derivatives: in vitro bioactivity and molecular docking;RSC Advances;2023