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

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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

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