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Synthesis, biological assay in vitro and molecular docking studies of new Schiff base derivatives as potential urease inhibitors.
Eur J Med Chem. 2011 Nov; 46(11):5473-9.EJ

Abstract

A series of new and novel Schiff base derivatives were synthesized and investigated as potential new inhibitors of Jack bean urease. The most potent compounds were 3f with (K(i) = 0.09 μM) and 3k (K(i) = 0.122 μM). A pure competitive mechanism of inhibition was observed. Molecular docking studies were also performed to illustrate the binding mode of the compounds. Docking studies were performed on both enzymes from Jack bean urease and H. pylori urease. It was observed that both share the same binding mode. The binding sites of the two urease structures also aligned very well indicating the similarity in binding sites of the enzymes.

Authors+Show Affiliations

Department of Pharmaceutical Sciences, COMSATS Institute of Information Technology, Abbottabad, Postal Code 22060, Pakistan.No affiliation info availableNo affiliation info availableNo affiliation info availableNo affiliation info available

Pub Type(s)

Journal Article
Research Support, Non-U.S. Gov't

Language

eng

PubMed ID

21981981

Citation

Aslam, Muhammad Adil S., et al. "Synthesis, Biological Assay in Vitro and Molecular Docking Studies of New Schiff Base Derivatives as Potential Urease Inhibitors." European Journal of Medicinal Chemistry, vol. 46, no. 11, 2011, pp. 5473-9.
Aslam MA, Mahmood SU, Shahid M, et al. Synthesis, biological assay in vitro and molecular docking studies of new Schiff base derivatives as potential urease inhibitors. Eur J Med Chem. 2011;46(11):5473-9.
Aslam, M. A., Mahmood, S. U., Shahid, M., Saeed, A., & Iqbal, J. (2011). Synthesis, biological assay in vitro and molecular docking studies of new Schiff base derivatives as potential urease inhibitors. European Journal of Medicinal Chemistry, 46(11), 5473-9. https://doi.org/10.1016/j.ejmech.2011.09.009
Aslam MA, et al. Synthesis, Biological Assay in Vitro and Molecular Docking Studies of New Schiff Base Derivatives as Potential Urease Inhibitors. Eur J Med Chem. 2011;46(11):5473-9. PubMed PMID: 21981981.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Synthesis, biological assay in vitro and molecular docking studies of new Schiff base derivatives as potential urease inhibitors. AU - Aslam,Muhammad Adil S, AU - Mahmood,Shams-ul, AU - Shahid,Mohammad, AU - Saeed,Aamer, AU - Iqbal,Jamshed, Y1 - 2011/09/16/ PY - 2011/03/01/received PY - 2011/09/06/revised PY - 2011/09/07/accepted PY - 2011/10/11/entrez PY - 2011/10/11/pubmed PY - 2012/2/14/medline SP - 5473 EP - 9 JF - European journal of medicinal chemistry JO - Eur J Med Chem VL - 46 IS - 11 N2 - A series of new and novel Schiff base derivatives were synthesized and investigated as potential new inhibitors of Jack bean urease. The most potent compounds were 3f with (K(i) = 0.09 μM) and 3k (K(i) = 0.122 μM). A pure competitive mechanism of inhibition was observed. Molecular docking studies were also performed to illustrate the binding mode of the compounds. Docking studies were performed on both enzymes from Jack bean urease and H. pylori urease. It was observed that both share the same binding mode. The binding sites of the two urease structures also aligned very well indicating the similarity in binding sites of the enzymes. SN - 1768-3254 UR - https://www.unboundmedicine.com/medline/citation/21981981/Synthesis_biological_assay_in_vitro_and_molecular_docking_studies_of_new_Schiff_base_derivatives_as_potential_urease_inhibitors_ L2 - https://linkinghub.elsevier.com/retrieve/pii/S0223-5234(11)00668-4 DB - PRIME DP - Unbound Medicine ER -