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Designing, physiochemical confirmation, evaluation of biological and in-silico potential of Triorganotin(IV) complexes

FTIR, NMR, CHN and single crystal X-ray crystallography were used to validate a series of three new triorganotin(IV) carboxylate complexes, R3Sn(L) for R=Methyl(1), n-Butyl(2) and Phenyl(3), obtained from LH=4-[(2,5-dimethoxyphenyl)carbamoyl]butanoic acid. The coupling constant and θC-Sn-C value...

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Main Authors:	Hanifa, Bibi, Sirajuddin, Muhammad, Tiekink, Edward R.T.*, Khan, Ishaq, Kubicki, Maciej, Bari, Ahmed
Format:	Article
Language:	English
Published:	Elsevier 2022
Subjects:	QD Chemistry QH301 Biology RC0254 Neoplasms. Tumors. Oncology (including Cancer)
Online Access:	http://eprints.sunway.edu.my/1978/1/Designing%20physiochemical%20confirmation.pdf http://eprints.sunway.edu.my/1978/ http://doi.org/10.1016/j.molstruc.2022.132814
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spelling	my.sunway.eprints.19782022-04-13T01:54:43Z http://eprints.sunway.edu.my/1978/ Designing, physiochemical confirmation, evaluation of biological and in-silico potential of Triorganotin(IV) complexes Hanifa, Bibi Sirajuddin, Muhammad Tiekink, Edward R.T.* Khan, Ishaq Kubicki, Maciej Bari, Ahmed QD Chemistry QH301 Biology RC0254 Neoplasms. Tumors. Oncology (including Cancer) FTIR, NMR, CHN and single crystal X-ray crystallography were used to validate a series of three new triorganotin(IV) carboxylate complexes, R3Sn(L) for R=Methyl(1), n-Butyl(2) and Phenyl(3), obtained from LH=4-[(2,5-dimethoxyphenyl)carbamoyl]butanoic acid. The coupling constant and θC-Sn-C values in solution-state NMR data suggest a 5-coordinated environment around the Sn centre. In the crystal of 1, the carboxylate is bidentate bridging leading to a zigzag chain with the Sn centre having a distorted trigonal-bipyramidal geometry. The compounds were evaluated for their interaction with salmon sperm DNA and found that they interact through an intercalative mode resulting in hypochromism and bathochromic shift as confirmed by the UV-visible spectroscopic and viscometric techniques. The findings of anti-microbial activity performed on five bacterial and two fungus strains demonstrate that some of the compounds exhibit >80% inhibition of certain bacteria and >100% inhibition of certain fungal strains. The compounds were also evaluated for cell viability tested on human embryonic kidney cell (HEC-239) and human red blood cells (RBC). The anti-cancer potential of the compounds was assessed using cis-platin as a standard against human malignant glioma U87 (MG-U87) cell lines, and 1 was shown to be the most potent (IC50: 148.979 μM) at a 50μM dose. The DPPH anti-oxidant activity results revealed a 91% maximum scavenging activity for 1. The compounds follow the principles of drug-likeness and have good bioavailability potential, according to an in silico analysis conducted using the SwissADME webserver Elsevier 2022-07-15 Article PeerReviewed text en cc_by_nc_4 http://eprints.sunway.edu.my/1978/1/Designing%20physiochemical%20confirmation.pdf Hanifa, Bibi and Sirajuddin, Muhammad and Tiekink, Edward R.T.* and Khan, Ishaq and Kubicki, Maciej and Bari, Ahmed (2022) Designing, physiochemical confirmation, evaluation of biological and in-silico potential of Triorganotin(IV) complexes. Journal of Molecular Structure, 1260. p. 132814. ISSN 0022-2860 http://doi.org/10.1016/j.molstruc.2022.132814 doi:10.1016/j.molstruc.2022.132814
institution	Sunway University
building	Sunway Campus Library
collection	Institutional Repository
continent	Asia
country	Malaysia
content_provider	Sunway University
content_source	Sunway Institutional Repository
url_provider	http://eprints.sunway.edu.my/
language	English
topic	QD Chemistry QH301 Biology RC0254 Neoplasms. Tumors. Oncology (including Cancer)
spellingShingle	QD Chemistry QH301 Biology RC0254 Neoplasms. Tumors. Oncology (including Cancer) Hanifa, Bibi Sirajuddin, Muhammad Tiekink, Edward R.T.* Khan, Ishaq Kubicki, Maciej Bari, Ahmed Designing, physiochemical confirmation, evaluation of biological and in-silico potential of Triorganotin(IV) complexes
description	FTIR, NMR, CHN and single crystal X-ray crystallography were used to validate a series of three new triorganotin(IV) carboxylate complexes, R3Sn(L) for R=Methyl(1), n-Butyl(2) and Phenyl(3), obtained from LH=4-[(2,5-dimethoxyphenyl)carbamoyl]butanoic acid. The coupling constant and θC-Sn-C values in solution-state NMR data suggest a 5-coordinated environment around the Sn centre. In the crystal of 1, the carboxylate is bidentate bridging leading to a zigzag chain with the Sn centre having a distorted trigonal-bipyramidal geometry. The compounds were evaluated for their interaction with salmon sperm DNA and found that they interact through an intercalative mode resulting in hypochromism and bathochromic shift as confirmed by the UV-visible spectroscopic and viscometric techniques. The findings of anti-microbial activity performed on five bacterial and two fungus strains demonstrate that some of the compounds exhibit >80% inhibition of certain bacteria and >100% inhibition of certain fungal strains. The compounds were also evaluated for cell viability tested on human embryonic kidney cell (HEC-239) and human red blood cells (RBC). The anti-cancer potential of the compounds was assessed using cis-platin as a standard against human malignant glioma U87 (MG-U87) cell lines, and 1 was shown to be the most potent (IC50: 148.979 μM) at a 50μM dose. The DPPH anti-oxidant activity results revealed a 91% maximum scavenging activity for 1. The compounds follow the principles of drug-likeness and have good bioavailability potential, according to an in silico analysis conducted using the SwissADME webserver
format	Article
author	Hanifa, Bibi Sirajuddin, Muhammad Tiekink, Edward R.T.* Khan, Ishaq Kubicki, Maciej Bari, Ahmed
author_facet	Hanifa, Bibi Sirajuddin, Muhammad Tiekink, Edward R.T.* Khan, Ishaq Kubicki, Maciej Bari, Ahmed
author_sort	Hanifa, Bibi
title	Designing, physiochemical confirmation, evaluation of biological and in-silico potential of Triorganotin(IV) complexes
title_short	Designing, physiochemical confirmation, evaluation of biological and in-silico potential of Triorganotin(IV) complexes
title_full	Designing, physiochemical confirmation, evaluation of biological and in-silico potential of Triorganotin(IV) complexes
title_fullStr	Designing, physiochemical confirmation, evaluation of biological and in-silico potential of Triorganotin(IV) complexes
title_full_unstemmed	Designing, physiochemical confirmation, evaluation of biological and in-silico potential of Triorganotin(IV) complexes
title_sort	designing, physiochemical confirmation, evaluation of biological and in-silico potential of triorganotin(iv) complexes
publisher	Elsevier
publishDate	2022
url	http://eprints.sunway.edu.my/1978/1/Designing%20physiochemical%20confirmation.pdf http://eprints.sunway.edu.my/1978/ http://doi.org/10.1016/j.molstruc.2022.132814
_version_	1731228853687287808
score	13.211869

Designing, physiochemical confirmation, evaluation of biological and in-silico potential of Triorganotin(IV) complexes

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