BENZIMIDAZOLE MOLECULE HYBRID WITH OXADIAZOLE RING AS ANTIPROLIFERATIVE AGENTS: IN-SILICO ANALYSIS, SYNTHESIS AND BIOLOGICAL EVALUATION

ABSTRACT A new series of benzimidazole molecules hyride with oxadiazole ring were design with an intention to search new antiproliferative lead compound. In-Silico toxicity of lead compound was also performed by using T.E.S.T software tool, a program from US Environmental Protection Agency. Drug lik...

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Autores principales:	Rashid,Mohammad, Afzal,Obaid, Altamimi,Abdulmalik Saleh Alfawaz
Lenguaje:	English
Publicado:	Sociedad Chilena de Química 2021
Materias:	Benzimidazole Oxadiazole Lipinski's rule OSIRIS Property Pre ADMET T.E.S.T tool NCI and Antiproliferative activity
Acceso en línea:	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072021000205164
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spelling	oai:scielo:S0717-970720210002051642021-07-05BENZIMIDAZOLE MOLECULE HYBRID WITH OXADIAZOLE RING AS ANTIPROLIFERATIVE AGENTS: IN-SILICO ANALYSIS, SYNTHESIS AND BIOLOGICAL EVALUATIONRashid,MohammadAfzal,ObaidAltamimi,Abdulmalik Saleh Alfawaz Benzimidazole Oxadiazole Lipinski's rule OSIRIS Property Pre ADMET T.E.S.T tool NCI and Antiproliferative activity ABSTRACT A new series of benzimidazole molecules hyride with oxadiazole ring were design with an intention to search new antiproliferative lead compound. In-Silico toxicity of lead compound was also performed by using T.E.S.T software tool, a program from US Environmental Protection Agency. Drug like properties and bioactivity score for drug targets of designed compounds were calculated by molinspiration tool and obtained result found to obey Lipinski's rule that indicates the compound are orally active molecules. Osiris property explorer was used for the prediction of drug relevant properties and toxicity of synthetic compounds. Pre ADMET server was also used to estimate ADME properties of synthetic compounds. Antiproliferative activities of compounds were investigated at the National Cancer Institute (NCI) against NCI 60 cell line panel, results showed good to notable anticancer activity. So that, these new hybrids compounds could serve as potential template to become leads in near future for the discovery and development of new effect orally drugs molecules. Two compounds, 4c [1-(1 H -benzo[ d ]imidazol-2-yl)-3-(5-((4-methylpiperazin-1-yl)methyl)-1,3,4 -oxadiazol-2-yl) propan-1-one] and 4k [3-((5-(3-(1 H -benzo[ d ]imidazol-2-yl)-3-oxopropyl)-1, 3, 4-oxadiazol-2-yl) methyl)-5-methylpyrimidine-2,4(1 H , 3 H )-dione] were exhibited highest drug score and emerged as lead compounds and motivates for further development of more effective and safer compounds.info:eu-repo/semantics/openAccessSociedad Chilena de QuímicaJournal of the Chilean Chemical Society v.66 n.2 20212021-04-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072021000205164en10.4067/S0717-97072021000205164
institution	Scielo Chile
collection	Scielo Chile
language	English
topic	Benzimidazole Oxadiazole Lipinski's rule OSIRIS Property Pre ADMET T.E.S.T tool NCI and Antiproliferative activity
spellingShingle	Benzimidazole Oxadiazole Lipinski's rule OSIRIS Property Pre ADMET T.E.S.T tool NCI and Antiproliferative activity Rashid,Mohammad Afzal,Obaid Altamimi,Abdulmalik Saleh Alfawaz BENZIMIDAZOLE MOLECULE HYBRID WITH OXADIAZOLE RING AS ANTIPROLIFERATIVE AGENTS: IN-SILICO ANALYSIS, SYNTHESIS AND BIOLOGICAL EVALUATION
description	ABSTRACT A new series of benzimidazole molecules hyride with oxadiazole ring were design with an intention to search new antiproliferative lead compound. In-Silico toxicity of lead compound was also performed by using T.E.S.T software tool, a program from US Environmental Protection Agency. Drug like properties and bioactivity score for drug targets of designed compounds were calculated by molinspiration tool and obtained result found to obey Lipinski's rule that indicates the compound are orally active molecules. Osiris property explorer was used for the prediction of drug relevant properties and toxicity of synthetic compounds. Pre ADMET server was also used to estimate ADME properties of synthetic compounds. Antiproliferative activities of compounds were investigated at the National Cancer Institute (NCI) against NCI 60 cell line panel, results showed good to notable anticancer activity. So that, these new hybrids compounds could serve as potential template to become leads in near future for the discovery and development of new effect orally drugs molecules. Two compounds, 4c [1-(1 H -benzo[ d ]imidazol-2-yl)-3-(5-((4-methylpiperazin-1-yl)methyl)-1,3,4 -oxadiazol-2-yl) propan-1-one] and 4k [3-((5-(3-(1 H -benzo[ d ]imidazol-2-yl)-3-oxopropyl)-1, 3, 4-oxadiazol-2-yl) methyl)-5-methylpyrimidine-2,4(1 H , 3 H )-dione] were exhibited highest drug score and emerged as lead compounds and motivates for further development of more effective and safer compounds.
author	Rashid,Mohammad Afzal,Obaid Altamimi,Abdulmalik Saleh Alfawaz
author_facet	Rashid,Mohammad Afzal,Obaid Altamimi,Abdulmalik Saleh Alfawaz
author_sort	Rashid,Mohammad
title	BENZIMIDAZOLE MOLECULE HYBRID WITH OXADIAZOLE RING AS ANTIPROLIFERATIVE AGENTS: IN-SILICO ANALYSIS, SYNTHESIS AND BIOLOGICAL EVALUATION
title_short	BENZIMIDAZOLE MOLECULE HYBRID WITH OXADIAZOLE RING AS ANTIPROLIFERATIVE AGENTS: IN-SILICO ANALYSIS, SYNTHESIS AND BIOLOGICAL EVALUATION
title_full	BENZIMIDAZOLE MOLECULE HYBRID WITH OXADIAZOLE RING AS ANTIPROLIFERATIVE AGENTS: IN-SILICO ANALYSIS, SYNTHESIS AND BIOLOGICAL EVALUATION
title_fullStr	BENZIMIDAZOLE MOLECULE HYBRID WITH OXADIAZOLE RING AS ANTIPROLIFERATIVE AGENTS: IN-SILICO ANALYSIS, SYNTHESIS AND BIOLOGICAL EVALUATION
title_full_unstemmed	BENZIMIDAZOLE MOLECULE HYBRID WITH OXADIAZOLE RING AS ANTIPROLIFERATIVE AGENTS: IN-SILICO ANALYSIS, SYNTHESIS AND BIOLOGICAL EVALUATION
title_sort	benzimidazole molecule hybrid with oxadiazole ring as antiproliferative agents: in-silico analysis, synthesis and biological evaluation
publisher	Sociedad Chilena de Química
publishDate	2021
url	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072021000205164
work_keys_str_mv	AT rashidmohammad benzimidazolemoleculehybridwithoxadiazoleringasantiproliferativeagentsinsilicoanalysissynthesisandbiologicalevaluation AT afzalobaid benzimidazolemoleculehybridwithoxadiazoleringasantiproliferativeagentsinsilicoanalysissynthesisandbiologicalevaluation AT altamimiabdulmaliksalehalfawaz benzimidazolemoleculehybridwithoxadiazoleringasantiproliferativeagentsinsilicoanalysissynthesisandbiologicalevaluation
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BENZIMIDAZOLE MOLECULE HYBRID WITH OXADIAZOLE RING AS ANTIPROLIFERATIVE AGENTS: IN-SILICO ANALYSIS, SYNTHESIS AND BIOLOGICAL EVALUATION

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