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Identification of Potent Urease Inhibitors via Ligand- and Structure-based Virtual Screening and in Vitro Assays by Khalid M. Khan; Abdul Wadood; Muhammad Ali; Zia-Ullah; Zaheer Ul-Haq; M. Arif Lodhi; Momin Khan; Shahnaz Perveen; M. Iqbal Choudhary is a Biochemistry, Genetics and Molecular Biology article available to read on EtoBox.
What is Identification of Potent Urease Inhibitors via Ligand- and Structure-based Virtual Screening and in Vitro Assays about?
Computer-assisted techniques have emerged as important tools in the search for new leads [13]. In the present study, we applied a combined ligand-and target-based drug design approach, which finally enabled us to identify a novel class (2-aminothiophenes) of urease inhibitors. Two of these inhibitors were found to be more active than the standard, acetohydroxamic acid. Materials and methods ### 2.1. Pharmacophore generation Pharmacophore modeling was performed by GASP, implemented in SYBYL 6.9 [14], using default parameters. GASP employs a genetic algorithm for the determination of relationships between functional groups in the superimposed ligands and the alignment
Who reads Identification of Potent Urease Inhibitors via Ligand- and Structure-based Virtual Screening and in Vitro Assays?
It is typically read by researchers, students, and practitioners in Biochemistry, Genetics and Molecular Biology.
- Author
- Khalid M. Khan; Abdul Wadood; Muhammad Ali; Zia-Ullah; Zaheer Ul-Haq; M. Arif Lodhi; Momin Khan; Shahnaz Perveen; M. Iqbal Choudhary
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 1093-3263)
- Published
- 2010
- Language
- EN
- Field
- Biochemistry, Genetics and Molecular Biology (Physical Sciences)