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Pharmacophore and QSAR modeling of estrogen receptor beta ligands and subsequent validation and in silico search for new hits.

• Mutasem O. Taha, Mai Tarairah, Hiba M Zalloum, Ghassan Abu-Sheikha
• Journal of molecular graphics & modelling
• 2010

The pharmacophoric space of estrogen receptor beta (ERbeta) was explored using a set of 119 known ligands. Subsequently, genetic algorithm and multiple linear regression analysis were employed to… (More)

Homology modeling of MCH1 receptor and validation by docking/scoring and protein-aligned CoMFA.

• Areej Abu-Hammad, Waleed A Zalloum, Hiba M Zalloum, Ghassan Abu-Sheikha, Mutasem O. Taha
• European journal of medicinal chemistry
• 2009

Homology modeling is becoming a valid method for obtaining three-dimensional coordinates for proteins. However, it is hard to judge the qualities of the resulting models warranting robust subsequent… (More)

Pharmacophore modeling, quantitative structure-activity relationship analysis, and in silico screening reveal potent glycogen synthase kinase-3beta inhibitory activities for cimetidine,…

• Mutasem O. Taha, Yasser Khalil Bustanji, +4 authors Naji Atallah
• Journal of medicinal chemistry
• 2008

The pharmacophoric space of glycogen synthase kinase-3beta (GSK-3beta) was explored using two diverse sets of inhibitors. Subsequently, genetic algorithm and multiple linear regression analysis were… (More)

Combining ligand-based pharmacophore modeling, quantitative structure-activity relationship analysis and in silico screening for the discovery of new potent hormone sensitive lipase inhibitors.

• Mutasem O. Taha, Lina A. Dahabiyeh, Yasser Khalil Bustanji, Hiba M Zalloum, Suhair A Saleh
• Journal of medicinal chemistry
• 2008

Hormone sensitive lipase (HSL) has been recently implicated in diabetes and obesity, prompting attempts to discover new HSL inhibitors. Toward this end, we explored the pharmacophoric space of HSL… (More)

Discovery of new MurF inhibitors via pharmacophore modeling and QSAR analysis followed by in-silico screening.

• Mutasem O. Taha, Naji Atallah, +4 authors Roger C. Levesque
• Bioorganic & medicinal chemistry
• 2008

The pharmacophoric space of streptococcal MurF was explored using a set of 39 known inhibitors. Subsequently, genetic algorithm and multiple linear regression analysis were employed to select an… (More)

Development of predictive in silico model for cyclosporine- and aureobasidin-based P-glycoprotein inhibitors employing receptor surface analysis.

• Hiba M Zalloum, Mutasem O. Taha
• Journal of molecular graphics & modelling
• 2008

P-glycoprotein (Pgp) is implicated in multiple drug resistance (MDR) exhibited by several types of cancer against a multitude of anticancer chemotherapeutic agents. This problem prompted several… (More)

Discovery of new human epidermal growth factor receptor-2 (HER2) inhibitors for potential use as anticancer agents via ligand-based pharmacophore modeling.

• Hiba M Zalloum, Rabab F Tayyem, +5 authors Mohammad S. Mubarak
• Journal of molecular graphics & modelling
• 2015

To discover potential antitumor agents directed toward human epidermal growth factor receptor-2HER2/ErbB2 overexpression in cancer, we have explored the pharmacophoric space of 115 HER2/ErbB2… (More)

Ligand-based designing, in silico screening, and biological evaluation of new potent fructose-1,6-bisphosphatase (FBPase) inhibitors.

• Rabab F Tayyem, Hiba M Zalloum, M Raafat Elmaghrabi, A. Yousef, Mohammad S. Mubarak
• European journal of medicinal chemistry
• 2012

Fructose-1,6-bisphosphatase - hereafter abbreviated as FBPase has been recently implicated in diabetes prompting several attempts to discover and optimize new FBPase inhibitors. Toward this end we… (More)

Exploring the Active Center of the LSD1/CoREST Complex by Molecular Dynamics Simulation Utilizing Its Co-crystallized Co-factor Tetrahydrofolate as a Probe.

• Waleed A Zalloum, Hiba M Zalloum
• Journal of chemical information and modeling
• 2017

Epigenetic targeting of cancer is a recent effort to manipulate the gene without destroying the genetic material. Lysine-specific demethylase 1 (LSD1) is one of the enzymes associated with the… (More)

Discovery of new antifungal leads via pharmacophore modeling and QSAR analysis of fungal N-myristoyl transferase inhibitors followed by in silico screening.

• Mutasem O. Taha, Amjad M. Qandil, Tariq Al-Haraznah, Reema Abu Khalaf, Hiba M Zalloum, Amal Al-Bakri
• Chemical biology & drug design
• 2011

N-Myristoyl transferase is an essential enzyme for fungal growth and survival. The continuous interest in the development of new antifungal agents prompted recent interest in developing new potent… (More)

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