当前位置： SCI文献检索 > BIOORGANIC CHEMISTRY期刊下所有文献 > Design, synthesis, anti-inflammatory antitumor activities, molecular modeling and molecular dynamics simulations of potential naprosyn® analogs as COX-1 and/or COX-2 inhibitors.

Design, synthesis, anti-inflammatory antitumor activities, molecular modeling and molecular dynamics simulations of potential naprosyn® analogs as COX-1 and/or COX-2 inhibitors.

Abstract：

:Inflammation is a fundamental physiological process that is essential for survival of human being but at the same time is one of the major causes of human morbidity and mortality. In the past decade, numerous advances have taken place in the understanding and development of novel anti-inflammatory drugs. Therefore, investigation of newest anti-inflammatory agents is still a major challenge. In this study, novel and successfully synthesized naproxen-derivatives indicated powerful anti-inflammatory properties as potent of COX-1 and/or COX-2 inhibitors are reported. Results obtained revealed the presence of very potent derivatives with% inhibition of the oedema by 100% in addition to enzyme inhibition values that can reach 92%. The molecular docking and molecular dynamic calculations have been studied. Thus, new potent candidates for further investigation as prospective non-steroidal anti-inflammatory drug were proposed. Furthermore, twenty of the synthesized derivatives have been selected by the NCI, USA for anti-cancer screening and some of the tested compounds showed good% growth inhibition and some selectivity against some cell lines such as melanoma, non-small cell lung and colon cancer with GI% values ranging from 60.9 to 82.8%. Structure activity relationship has been performed and molecular modeling studies and molecular dynamic simulations have been performed for more explanation of the action of the synthesized compounds.

journal_name

Bioorg Chem

journal_title

Bioorganic chemistry

authors

El Sayed MT,El-Sharief MAMS,Zarie ES,Morsy NM,Elsheakh AR,Nayel M,Voronkov A,Berishvili V,Sabry NM,Hassan GS,Abdel-Aziz HA

doi

10.1016/j.bioorg.2017.11.002

subject

Has Abstract

pub_date

2018-02-01 00:00:00

pages

188-201

eissn

0045-2068

issn

1090-2120

pii

S0045-2068(17)30753-8

journal_volume

76

pub_type

杂志文章

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