M. GHORAB Hamida

MCB

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Department

Departement of Chemistry

Research Interests

chimie organique

Contact Info

University of M'Sila, Algeria

Email : hamida.ghorab@univ-msila.dz

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Recent Publications

2022-10-01

10. Automated QSPR modeling and data curation of physicochemical properties using KNIME platform: Prediction of partition coefficients.

In the last two decades, the volumes of chemical and biological data are constantly increasing. The problem of converting data sets into knowledge is both expensive and time-consuming, as a result a workflow technology with platforms such as KNIME, was built up to facilitate searching through multiple heterogeneous data sources and filtering for specific criteria then extracting hidden information from these large data. Before any QSAR modeling, a manual data curation is extremely recommended. However, this can be done, for small datasets, but for the extensive data accumulated recently in public databases a manual process of big data will be hardly feasible. In this work, we suggest using KNIME as an automated solution for workflow in data curation, development, and validation of predictive QSAR models from a huge dataset.
In this study, we used 250250 structures from NCI database, only 3520 compounds could successfully pass through our workflow safely with their corresponding experimental log P, this property was investigated as a case study, to improve some existing log P calculation algorithms.
Citation

M. GHORAB Hamida, (2022-10-01), "10. Automated QSPR modeling and data curation of physicochemical properties using KNIME platform: Prediction of partition coefficients.", [national] Journal of the Indian Chemical Society , Elsevier

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2019-10-02

11. QSPR modeling for critical temperatures of organic compounds using hybrid optimal descriptors

The simplified molecular input line entry system (SMILES) is particularly suitable for high-speed machine processing, based on the Monte Carlo method using CORAL software. Quantitative structure-property relationships (QSPR) of critical temperatures have been established using a dataset of 165 diverse organic compounds employing hybrid optimal descriptors defined by graph and SMILES notation. External validation is one of the most important parts in the evaluation of model performance. However, previous models on the same dataset have poor predictive power in the external test set, or the authors had not done that check. In the present work, the predictive ability of model has been tested using external validation. The statistical quality of the three splits are similar and good. The r2 values for the best model are: r2 = 0.98 for the training set, r2 = 0.95 for the calibration set, and r2 = 0.94 for the validation set.
Citation

M. GHORAB Hamida, (2019-10-02), "11. QSPR modeling for critical temperatures of organic compounds using hybrid optimal descriptors", [national] International Journal of Quantitative Structure-Property Relationships , IGI Global Scientific Publishing

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2018-01-23

Phytochemical Study and antioxidant activity of Traganum nudatum Del

Traganum nudatum (Amaranthaceae) locally known as "Domran" is a perennial herb that grows in North Africa and Western Asia. In Algeria, this plant is used to treat diabetes and various algies (Bouallala et al., 2014). Its leaves are frequently used to treat wounds, rheumatism, diarrhea, dermatoses (Ouled El Hadj et al., 2003), gastric problems, pruritus and pimples (Bellakhdar, 1997). Two flavonoids have been isolated from the butanolic extract of aerial parts of Traganum nudatum. These compounds were identified by extensive spectroscopic methods including 1D-(1H and 13C) and 2D-NMR (COSY, HSQC, HMBC and NOESY) experiments. The antioxidant potential is also reported.
Citation

M. GHORAB Hamida, (2018-01-23), "Phytochemical Study and antioxidant activity of Traganum nudatum Del", [national] 3èmes Journées Scientifiques-LOST 2018 , Constantine

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2017-10-05

Polyphenol content, antioxidant and antibacterial activities of Traganum nudatum.

Traganum nudatum (Amaranthaceae family) is a perennial herb that grows in North Africa and Western Asia .It is a medicinal plant widely used in folk medicine. We report here, the polyphenol content, the antioxidant and antibacterial activities of the Algerian species T. nudatum, collected from Oued Souf (Sud Algeria). The hydromethanolic extract exhibited a good to moderate antibacterial activity against Staphylococcus aureus, Streptococcus enterococcus and Escherichia coli with 18 mm, 15 mm and 10 mm inhibition zone diameters, respectively with MICs ranged from 16-62.5 µg/mL. The hydromethanolic extract showed a good DPPH radical scavenging and an important polyphenol content.
Citation

M. GHORAB Hamida, (2017-10-05), "Polyphenol content, antioxidant and antibacterial activities of Traganum nudatum.", [international] 2. The organizing commitee of the 4th international congress of plants biodiversity, held at Marrakech , Marrakech

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2017-07-12

Proteomic analysis of sweet algerian apricot kernels (Prunus armeniaca L.) by combinatorial peptide ligand libraries and LC–MS/MS

An investigation on the proteome of the sweet kernel of apricot, based on equalisation with combinatorial
peptide ligand libraries (CPLLs), SDS-PAGE, nLC-ESI-MS/MS, and database search, permitted identifying
175 proteins. Gene ontology analysis indicated that their main molecular functions are in nucleotide
binding (20.9%), hydrolase activities (10.6%), kinase activities (7%), and catalytic activity (5.6%). A proteinprotein
association network analysis using STRING software permitted to build an interactomic map of all
detected proteins, characterised by 34 interactions. In order to forecast the potential health benefits
deriving from the consumption of these proteins, the two most abundant, i.e. Prunin 1 and 2, were enzymatically
digested in silico predicting 10 and 14 peptides, respectively. Searching their sequences in the
database BIOPEP, it was possible to suggest a variety of bioactivities, including dipeptidyl peptidase-IV
(DPP-IV) and angiotensin converting enzyme I (ACE) inhibition, glucose uptake stimulation and antioxidant
properties.

Citation

M. GHORAB Hamida, (2017-07-12), "Proteomic analysis of sweet algerian apricot kernels (Prunus armeniaca L.) by combinatorial peptide ligand libraries and LC–MS/MS", [national] Food Chemistry , Elsevier

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2016-11-10

A New Cardenolide and Other Compounds from Salsola tetragona Delile (Amaranthaceae),

One new cardenolide, 3-O-β-D -allopyranosylcoroglaucigenin (salsotetragonin) (1), was isolated from the aerial parts of Salsola tetragona Delile with four
known cardenolides (2-5), two known flavonoids (6-7), three known phenolic compounds (8-10) and two known fatty acids (11-12). Their structures were
identified by spectroscopic analyses and by comparison of their spectral data with those reported in the literature. Compounds 1-5, 7, 10 and 12 were isolated
from the genus Salsola for the first time. This is the first report on cardenolides identified in the Amaranthaceae family
Citation

M. GHORAB Hamida, (2016-11-10), "A New Cardenolide and Other Compounds from Salsola tetragona Delile (Amaranthaceae),", [national] Natural Product Communications , SAGE Publishing

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2016-09-24

Components and chemotaxonomy of Salsola tetragona Del (Chenopodiaceae).

The genus Salsola (Chenopodiaceae) consists of over 174 species found in the arid regions of Asia, Europe and Africa [1-3]. Previous phytochemical investigations on this genus reported the isolation of flavonoids and other phenolic compounds [4, 5] and triterpene glycosides [6]. In the present work we describe the isolation of triterpene and flavonoids from the dichloromethane and the butanolic extract.
Their structures were elucidated by extensive spectroscopic methods including 1D-(1H and 13C) and 2D-NMR (COSY, HSQC, HMBC and NOESY).
Citation

M. GHORAB Hamida, (2016-09-24), "Components and chemotaxonomy of Salsola tetragona Del (Chenopodiaceae).", [international] 3. The 29th Inetrnational Symposium on the chemistry of natural products (ISCNP-29) and the 9th International conference on biodiversity (ICOB-9) Izmir, , Izmir

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2015-10-09

Flavonoids and cardenolides from Salsola tetragona

The genus Salsola (Chenopodiaceae) consists of over 100 species found in the dry regions of Asia, Europe and Africa. The aqueous extracts of Salsola species are used in traditional medicine as an oral contraceptive by Bushmen women in Namibia and in the Republic of South Africa (1). In the Middle East, Salsola baryosma is used against inflammations and as a diuretic agent (2) and as CNS (3). In the present work we describe the isolation of uzarigenin and calcatin derivatives besides flavonoids namely from the apolar and polar extracts of the endemic species Salsola teragona collected from Algerian Septentrional Sahara.Their structures were elucidated by extensive spectroscopic methods including 1D-(1H and 13C) and 2D-NMR (COSY, HSQC, HMBC and NOESY).
Citation

M. GHORAB Hamida, (2015-10-09), "Flavonoids and cardenolides from Salsola tetragona", [international] 3rd international congress on plant biodiversity , Marrakech

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2014-09-01

5. Composition and Antioxidant Activity of the Essential Oil of Thymus dreatensis from Algeria

Thymus genus (Lamiaceae) has been found to possess significant biological activities, including antimicrobial,
antioxidant, spasmolytic, antitussive, bronchiolitis, antifungal, sedative, and rubefaciant [1–16]. Twelve species are distributed
in Algeria [7], nine of them endemic. In continuation of our works on Lamiaceae essential oils [8–11], we present here the
essential oil composition and the antioxidant activity of the endemic species Thymus dreatensis Batt
Citation

M. GHORAB Hamida, (2014-09-01), "5. Composition and Antioxidant Activity of the Essential Oil of Thymus dreatensis from Algeria", [national] Chemistry of Natural Compounds , Springer Science+Business Media

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2014-02-24

Essential oil composition and antibacterial activity of Artemisia campestris L. from khenchela (Algeria)

The genus Artemisia (Asteraceae) includes about 400 species distributed in the Mediterranean region, Northern Africa, Western Asia and Southwestern Europe, and in Arabian Peninsula. The Algerian flora comprises 13 species of Artemisia [1] of which the most reported species A. campestris, commonly called in Algerian folk medicine “shih”. This species revealed several pharmacological activities such as antioxidant, insecticidal, antimicrobial and relaxation [2-6]. In continuation of our works on Asteraceae essential oils, we report here the chemical composition and the antibacterial activity of fresh aerial parts of Artemisia campestris L. essential oil, collected at Khenchela (Eastern Algerian). The hydrodistilled essential oil of fresh aerial parts of Artemisia campestris L. (Asteraceae) was analyzed by GC and GC/MS. Forty eight compounds were characterized representing 98.31% of the essential oil with the prevalence of β-myrcene (16.47%), α-pinene (14.18 %), trans-β- ocimene (12.61%), β-cymene (8.15%) and camphor(5.85%).The antibacterial activity of the essential oil was tested against Escherichia coli ATCC 25922, Escherichia coli, Klebsiella pneumoniae, Pseudomonas aeruginosa ATCC 27853, Pseudomonas aeruginosa, Salmonella typhimurium, Staphylococcus aureus ATCC 43300 and Staphylococcus aureus.
Citation

M. GHORAB Hamida, (2014-02-24), "Essential oil composition and antibacterial activity of Artemisia campestris L. from khenchela (Algeria)", [national] 2éme journées scientifiques LOST Constantine , Constantine

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2013-11-27

Flavonoids from Salsola tetragona.

The genus Salsola (Chenopodiaceae) consists of over 100 species found in the dry regions of Asia, Europe and Africa. The aqueous extracts of Salsola species are used in traditional medicine as an oral contraceptive by Bushmen women in Namibia and in the Republic of South Africa1. In the middle East, Salsola baryosma is used against inflammations and as a diuretic agent2. It has also been reported to possess antioxidant effects 3 and CNS depressant activity 4. In the present work we describe the isolation of two flavonoids from Salsola tetragona. Their structures were elucidated by extensive spectroscopic methods (1H NMR, 13C NMR, 1H-1H COSY, HMBC, HMQC, UV and Ms).
Citation

M. GHORAB Hamida, (2013-11-27), "Flavonoids from Salsola tetragona.", [international] The 7th Trans mediterranean Colloquium On Heterocyclic Chemistry Rabat- Morocco , Rabat- Morocco

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2013-10-20

4. Comparative compositions of essential oils of Thymus growing in various soils and climates of North Africa,

Essential oils compositions of hydrodistilled fresh aerial parts of Thymus (Lamiaceae), growing in various soils
of Algeria and Morocco with different climates, are compared here. Thymol (17.3–79.1%), carvacrol (4.4-
72.4%), α-terpineol (34.4%), trans-β-ocimene (0.15-25.8%), p-cymene (0.47-19.6%), linalool (6.1-17.2%),
viridiflorol (16.12%), γ-terpinene (0.74-14.6%), α-terpinene (0.3-12.3%), o-cymene (11.41%), thymol methyl
ether (6.73-10.7%), α-pinene (8.75%), camphor (7.5%), nerolidol (6.95%) and borneol (6.1%), were the main
components of the studied essential oils.
Citation

M. GHORAB Hamida, (2013-10-20), "4. Comparative compositions of essential oils of Thymus growing in various soils and climates of North Africa,", [national] Journal of Materials and Environmental Science , University of Mohammed Premier Oujda

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2013-04-10

Acylation d’amines de diverses structures dans l’eau.

Au cours de ce travail, nous avons réalisé l’acétylation de différentes amines aromatiques primaires et secondaire en utilisant l’agent acylant l’anhydride acétique dans l’eau comme solvant sans réactifs additionnels, les N- acétyl-amines ont été obtenus avec des rendements élevés et dans des temps relativement courts .
Les structures des composés acylés ont été élucidées par les méthodes spectroscopiques usuelles IR et RMN de 1H
Citation

M. GHORAB Hamida, (2013-04-10), "Acylation d’amines de diverses structures dans l’eau.", [national] Deuxiémes Journées Nationales de Chimie d’Annaba –JNCA’13 , annaba

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