POM analyses

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Evaluation of Pelargonium extract and oil as eco-friendly corrosion inhibitor for steel in acidic chloride solutions and pharmacological properties

Journal Title, Volume, Page: 
Research on Chemical Intermediates September 2014 Date: 28 Sep 2014
Year of Publication: 
2014
Authors: 
Y. El Ouadi
Laboratoire de Chimie Appliquée et Environnement (LCAE), URAC18, Faculté des Sciences, B.P. 717, 60000, Oujda, Morocco
L. Majidi
Laboratoire des Substances Naturelles & Synthese et Dynamique Moléculaire, Faculté des Sciences et Techniques, Errachidia, Morocco
A. Bouyanzer
Laboratoire de Chimie Appliquée et Environnement (LCAE), URAC18, Faculté des Sciences, B.P. 717, 60000, Oujda, Morocco
J. Paolini
Laboratoire des Substances Naturelles & Synthese et Dynamique Moléculaire, Faculté des Sciences et Techniques, Errachidia, Morocco
J.-M. Desjobert
J. Costa
A. Chetouani
B. Hammouti
S. Jodeh
Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine
I. Warad
Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine
Current Affiliation: 
Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine
Y. Mabkhot
T. Ben Hadda
Preferred Abstract (Original): 

There is a growing trend in utilizing plant extracts and pharmaceutical compounds as corrosion inhibitors. Accurate identification of the essential oil of aerial parts of Pelargonium was obtained using hydrodistillation, gas chromatography and gas chromatography–mass spectrometry. The oil was predominated by citronellol (22.8 %). The inhibitory effect of essential oil and extract of Pelargonium was estimated on the corrosion of mild steel in 1 M hydrochloric acid (HCl) using weight loss, electrochemical impedance spectroscopy (EIS) and Tafel polarization curves. Inhibition was found to increase with increasing concentration of the essential oil and extract of Pelargonium. The effect of temperature on the corrosion behavior of mild steel in 1 M HCl with addition of essential oil and extract was also studied, and the thermodynamic parameters were determined and discussed. Values of inhibition efficiency were calculated from weight loss, Tafel polarization curves, and EIS. All results are in good agreement. Polarization curves showed that essential oil and extract of Pelargonium behave as mixed type inhibitors in HCl (1 M). The results obtained showed that the essential oil and extract of Pelargonium could serve as an effective inhibitor of the corrosion of mild steel in HCl solution. To avoid any unexpected toxicity, the majority of compounds have been studied by using POM analyses. 

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Evaluation of Pelargonium Extract and Oil as Eco-Friendly Corrosion Inhibitor for Steel in Acidic Chloride Solutions and Pharmacological Properties

Journal Title, Volume, Page: 
Research on Chemical Intermediates September 2014 Date: 28 Sep 2014
Year of Publication: 
2014
Authors: 
Y. El Ouadi
Laboratoire de Chimie Appliquée et Environnement (LCAE), URAC18, Faculté des Sciences, B.P. 717, 60000, Oujda, Morocco
A. Bouyanzer
Laboratoire de Chimie Appliquée et Environnement (LCAE), URAC18, Faculté des Sciences, B.P. 717, 60000, Oujda, Morocco
L. Majidi
Laboratoire des Substances Naturelles & Synthese et Dynamique Moléculaire, Faculté des Sciences et Techniques, Errachidia, Morocco
J. Paolini
UMR CNRS 6134, Laboratoire de Chimie des Produits Naturels, Faculté des Sciences et Techniques, Université de Corse, Corsica, France
J.-M. Desjobert
UMR CNRS 6134, Laboratoire de Chimie des Produits Naturels, Faculté des Sciences et Techniques, Université de Corse, Corsica, France
J. Costa
UMR CNRS 6134, Laboratoire de Chimie des Produits Naturels, Faculté des Sciences et Techniques, Université de Corse, Corsica, France
A. Chetouani
Laboratoire de chimie physique, Centre Régionale des Métiers de l’Education et de Formation “CRMEF”, Région de l’Orientale, Oujda, Morocco
B. Hammouti
Laboratoire de Chimie Appliquée et Environnement (LCAE), URAC18, Faculté des Sciences, B.P. 717, 60000, Oujda, Morocco
S. Jodeh
Department of Chemistry, AN-Najah National University, P. O. Box 7, Nablus, State of Palestine
Current Affiliation: 
Department of Chemistry, AN-Najah National University, P. O. Box 7, Nablus, State of Palestine
I. Warad
Department of Chemistry, AN-Najah National University, P. O. Box 7, Nablus, State of Palestine
Y. Mabkhot
Department of Chemistry, College of Science, King Saud University, P. O. Box 2455, Riyadh, 11451, KSA
T. Ben Hadda
Laboratoire Chimie Matériaux, Faculté des Sciences, B.P. 717, 60000, Oujda, Morocco
Preferred Abstract (Original): 

There is a growing trend in utilizing plant extracts and pharmaceutical compounds as corrosion inhibitors. Accurate identification of the essential oil of aerial parts of Pelargonium was obtained using hydrodistillation, gas chromatography and gas chromatography–mass spectrometry. The oil was predominated by citronellol (22.8 %). The inhibitory effect of essential oil and extract of Pelargonium was estimated on the corrosion of mild steel in 1 M hydrochloric acid (HCl) using weight loss, electrochemical impedance spectroscopy (EIS) and Tafel polarization curves. Inhibition was found to increase with increasing concentration of the essential oil and extract of Pelargonium. The effect of temperature on the corrosion behavior of mild steel in 1 M HCl with addition of essential oil and extract was also studied, and the thermodynamic parameters were determined and discussed. Values of inhibition efficiency were calculated from weight loss, Tafel polarization curves, and EIS. All results are in good agreement. Polarization curves showed that essential oil and extract of Pelargonium behave as mixed type inhibitors in HCl (1 M). The results obtained showed that the essential oil and extract of Pelargonium could serve as an effective inhibitor of the corrosion of mild steel in HCl solution. To avoid any unexpected toxicity, the majority of compounds have been studied by using POM analyses.

warad's picture

Evaluation of Pelargonium Extract and Oil as Eco-Friendly Corrosion Inhibitor for Steel in Acidic Chloride Solutions and Pharmacological Properties

Journal Title, Volume, Page: 
Research on Chemical Intermediates September 2014 Date: 28 Sep 2014
Year of Publication: 
2014
Authors: 
Y. El Ouadi
Laboratoire de Chimie Appliquée et Environnement (LCAE), URAC18, Faculté des Sciences, B.P. 717, 60000, Oujda, Morocco
A. Bouyanzer
Laboratoire de Chimie Appliquée et Environnement (LCAE), URAC18, Faculté des Sciences, B.P. 717, 60000, Oujda, Morocco
L. Majidi
Laboratoire des Substances Naturelles & Synthese et Dynamique Moléculaire, Faculté des Sciences et Techniques, Errachidia, Morocco
J. Paolini
UMR CNRS 6134, Laboratoire de Chimie des Produits Naturels, Faculté des Sciences et Techniques, Université de Corse, Corsica, France
J.-M. Desjobert
UMR CNRS 6134, Laboratoire de Chimie des Produits Naturels, Faculté des Sciences et Techniques, Université de Corse, Corsica, France
J. Costa
UMR CNRS 6134, Laboratoire de Chimie des Produits Naturels, Faculté des Sciences et Techniques, Université de Corse, Corsica, France
A. Chetouani
Laboratoire de chimie physique, Centre Régionale des Métiers de l’Education et de Formation “CRMEF”, Région de l’Orientale, Oujda, Morocco
B. Hammouti
Laboratoire de Chimie Appliquée et Environnement (LCAE), URAC18, Faculté des Sciences, B.P. 717, 60000, Oujda, Morocco
S. Jodeh
Department of Chemistry, AN-Najah National University, P. O. Box 7, Nablus, State of Palestine
I. Warad
Department of Chemistry, AN-Najah National University, P. O. Box 7, Nablus, State of Palestine
Current Affiliation: 
Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine
Y. Mabkhot
Department of Chemistry, College of Science, King Saud University, P. O. Box 2455, Riyadh, 11451, KSA
T. Ben Hadda
Laboratoire Chimie Matériaux, Faculté des Sciences, B.P. 717, 60000, Oujda, Morocco
Preferred Abstract (Original): 
There is a growing trend in utilizing plant extracts and pharmaceutical compounds as corrosion inhibitors. Accurate identification of the essential oil of aerial parts of Pelargonium was obtained using hydrodistillation, gas chromatography and gas chromatography–mass spectrometry. The oil was predominated by citronellol (22.8 %). The inhibitory effect of essential oil and extract of Pelargonium was estimated on the corrosion of mild steel in 1 M hydrochloric acid (HCl) using weight loss, electrochemical impedance spectroscopy (EIS) and Tafel polarization curves. Inhibition was found to increase with increasing concentration of the essential oil and extract of Pelargonium. The effect of temperature on the corrosion behavior of mild steel in 1 M HCl with addition of essential oil and extract was also studied, and the thermodynamic parameters were determined and discussed. Values of inhibition efficiency were calculated from weight loss, Tafel polarization curves, and EIS. All results are in good agreement. Polarization curves showed that essential oil and extract of Pelargonium behave as mixed type inhibitors in HCl (1 M). The results obtained showed that the essential oil and extract of Pelargonium could serve as an effective inhibitor of the corrosion of mild steel in HCl solution. To avoid any unexpected toxicity, the majority of compounds have been studied by using POM analyses.
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Computational POM Evaluation of Experimental in vitro Trypanosoma cruzi and Mycobacterium Tuberculosis Inhibition of Heterocyclic-2- Carboxylic Acid (3-Cyano-1,4-di-Noxidequinoxalin-2-yl)amide Derivatives

Journal Title, Volume, Page: 
Medicinal Chemistry Research Accepted
Year of Publication: 
2013
Preferred Abstract (Original): 

A computation model has been developed for the rational design of bioactive
pharmacophore sites as anti-Mycobacterium Tuberculosis (MT) and anti-Trypanosoma cruzi
(TC) candidates. The 40 compounds 1-40 analyzed have been previously screened for their
antitubercular and antitrypanosomal activity. The highest anti-Trypanosoma cruzi (TC)
activity is obtained for compounds 8 and 18 which exhibited low IC50 values (9.2 and 10.8
M), almost equal to clinical drug, Nifurtimox (7.7 M; 100% Inhib.). This could be
attributed to the existence of two synergic (O---N-) and (O---O-) anti-Tryposomal
phramacophore sites. In contrast to compounds 8 and 18 which contain electro-attractor
groups (R1, R2 = F), analogue compounds 1 and 13 with electro-donor or only hydrogen (R1,
R2 = CH3, H) shows best antibacterial activity (MIC = 0.977 and 1.190 g/mL) very close to
antitubercular activity of Rifampicin (MIC = 0.125 g/mL). This could be attributed to the
existence of (O---NH+) antibacterial phramacophore site.

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POM Analyses of Antitrypanosomal Activity of 2-Iminobenzimidazoles: Favorable and Unfavorable Parameters for Drugs Optimization

Journal Title, Volume, Page: 
Medicinal Chemistry Research May 2013, Volume 22, Issue 5, pp 2437-2445
Year of Publication: 
2013
Authors: 
Taibi Ben Hadda
Laboratoire de Chimie des Matériaux, Département de Chimie, Faculté des Sciences d’Oujda, Université Mohammed Premier, 60000, Oujda, Morocco
Rahima Mouhoub
Laboratoire de Chimie des Matériaux, Département de Chimie, Faculté des Sciences d’Oujda, Université Mohammed Premier, 60000, Oujda, Morocco
Rahul Jawarkar
Department of Pharmaceutical Chemistry, Sahyadri College of Pharmacy, Methawde, Sangola, Solapur, Maharashtra, India
Vijay Masand
Department of Chemistry, Vidya Bharati Mahavidyalaya, Camp, Amravati, 444602, Maharashtra, India
Ismail Warad
Department of Chemistry, King Saud University, P. O. Box 2455, Riyadh, 11451, Saudi Arabia
Current Affiliation: 
Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine
Preferred Abstract (Original): 
POM virtual screening and docking of compounds 2-iminobenzimidazoles (IBIZ) as a novel class of trypanothione reductase inhibitors are described. These 2-IBIZ display potent trypanocidal activity against Trypanosoma brucei rhodesiense, with low cytotoxicity. A hypothetical mechanism based on bioinformatic analyses is proposed. The ligands with two neighbor pockets leading to bimetallic (M-Ligand-M/enzyme) complexes are more active than similar ligand without the two terminal arms.
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POM as a Quick Bioinformatic Platform to Select Flavonoids and Their Metabolites as Potential and Efficient HIV-1 Integrase Inhibitors

Journal Title, Volume, Page: 
Research on Chemical Intermediates, Volume 39, Issue 3 , pp 1227-1244
Year of Publication: 
2013
Authors: 
Taibi Ben Hadda
Laboratoire Chimie Matériaux, Faculté des Sciences, Université Med. I, Oujda, Morocco
Teffaha Fergoug
Laboratoire de Chimie Physique des Biomolécules et Interfaces biologiques, Faculté des Sciences de la Nature et de la Vie, Université de Mascara, 29000, Mascara, Algeria
Ismail Warad
Department of Chemistry, Science College, King Saud University, P. O. Box 2455, Riyadh, 11451, Saudi Arabia
Current Affiliation: 
Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine
Vijay Masand
Department of Chemistry, Vidyabharati College of Pharmacy, Camp Amaravati, Maharashtra, India
Javed Sheikh
National Environmental Engineering Research Institute, Nagpur, 440020, India
Preferred Abstract (Original): 
This paper surveys the various naturally occurring flavonoids that have been isolated from different natural sources. This is the first petra/osiris/molinspiration (POM) analysis published on this topic. The present study furnishes an overview of the 32 flavonoids and anti-HIV-Integrase activity of their metabolite species. The aqueous and/or ethanol extraction of flavonoids have often been used in traditional medicine, and therefore have also been studied for their antitumor, antioxidant, antiviral, anti-algal, antimicrobial, cytotoxic and anti-inflammatory, and significant hepatoprotective and cardiovascular activity without any criteria of selection. Here, on the basis of POM analyses, a simple, economic, quick and efficient bioinformatic platform, it now becomes easy and possible to predict and optimize flavonoids bioactivity.
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Synthesis, Characterization, Bioactivity, and POM Analyses Of Isothiochromeno[3,4-E][1,2]Oxazines

Journal Title, Volume, Page: 
Medicinal Chemistry Research October 2013, 22, 4798-4809
Year of Publication: 
2013
Authors: 
Brahim Bennani
Laboratoire de Chimie Organique, Faculté desz Sciences Dhar El-Mehraz, Université Sidi Mohammed Ben Abdellah, 30000, Fez, Morocco
Abdelali Kerbal
Laboratoire de Chimie Organique, Faculté desz Sciences Dhar El-Mehraz, Université Sidi Mohammed Ben Abdellah, 30000, Fez, Morocco
Bouchra F. Baba
Laboratoire de Chimie Organique, Faculté desz Sciences Dhar El-Mehraz, Université Sidi Mohammed Ben Abdellah, 30000, Fez, Morocco
Maria Daoudi
Laboratoire de Chimie Organique, Faculté desz Sciences Dhar El-Mehraz, Université Sidi Mohammed Ben Abdellah, 30000, Fez, Morocco
Ismail Warad
Department of Chemistry, Science College, King Saud University, P.O. Box 2455, Riyadh, 11451, Saudi Arabia
Current Affiliation: 
Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine
Mohamad Aljofan
Department of Microbiology, School of Medicine, Nursing and Health Sciences, Monash University, Caulfield East, VIC, Australia
Ahmed M. Alafeefy
Department of Pharmaceutical Chemistry, College of Pharmacy, Salman Bin Abdulaziz University, P.O. Box 173, Alkharj, 11942, Saudi Arabia
Vijay Masand
Department of Chemistry, Vidya Bharati College, Camp, Amravati, Maharashtra, India
Taibi B. Hadda
Laboratoire Chimie des Matériaux, Faculté des Sciences d’Oujda, Université Mohammed Premier, 60000, Oujda, Morocco
Preferred Abstract (Original): 
A series of 18 new 3,4-disubstituted-isothiochromeno[3,4-e][1,2]oxazines 28–45 has been obtained from the 3′,4′-di-substituted-4′H-spiro[isothiochromene-3,5′-isoxazol]-4(1H)-ones 10–27 in refluxing HCl acid/ethanol. A series of 15/18 compounds 28–45 was selected by the National Cancer Institute (NCI, Bethesda, USA) and were evaluated against a full panel of 60 primary human tumor cell lines derived from nine human cancer types, all of which showed antiproliferative activity in the micromolar range. The most active compound number 37 (S722910) showed high potency against all the tested cell lines with a GI50 mean value in the range of 30–80 μM; TGI and LC50 values were 12–16 μM having positive response on 98 and 63 % of the tested cell lines (Breast-MCF7 and NCS-SF-268) respectively.
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