Synthesis of novel inhibitors of β-glucuronidase based on benzothiazole skeleton and study of their binding affinity by molecular docking

Bioorganic and Medicinal Chemistry

Volumn 19, Issue 14, 2011, Pages 4286-4294

  Khan, Khalid Mohammed ^a   Rahim, Fazal ^a   Halim, Sobia Ahsan ^a   Taha, Muhammad ^a   Khan, Momin ^a   Perveen, Shahnaz ^b   Zaheer Ul Haq, ^a   Mesaik, Muhammad Ahmed ^a   Iqbal Choudhary, M ^a  

^a UNIVERSITY OF KARACHI   (Pakistan)

^b PCSIR LABORATORIES COMPLEX   (Pakistan)

Author keywords

Glucuronidase inhibition; Benzothiazole; Cytotoxicity; Glucuronosyl O bonds; gold; Molecular docking; Structure activity relationship (SAR)

Indexed keywords

2 (1 NAPHTHYL) 1,3 BENZOTHIAZOLE; 2 (1,3 BENZOTHIAZOL 2 YL) 1,4 BENZENEDIOL; 2 (1,3 BENZOTHIAZOL 2 YL) 4 CHLOROPHENOL; 2 (1,3 BENZOTHIAZOL 2 YL) 6 ETHOXYPHENOL; 2 (1,3 BENZOTHIAZOL 2 YL) 6 METHOXYPHENOL; 2 (1,3 BENZOTHIAZOL 2 YL)PHENOL; 2 (2 FLUOROPHENYL) 1,3 BENZOTHIAZOLE; 2 (2 METHYLPHENYL) 1,3 BENZOTHIAZOLE; 2 (2 THIENYL) 1,3 BENZOTHIAZOLE; 2 (2,4 DICHLOROPHENYL) 1,3 BENZOTHIAZOLE; 2 (3 CHLOROPHENYL) 1,3 BENZOTHIAZOLE; 2 (3 PYRIDINYL) 1,3 BENZOTHIAZOLE; 2 (3,4 DIMETHOXYPHENYL) 1,3 BENZOTHIAZOLE; 2 (4 METHYLPHENYL) 1,3 BENZOTHIAZOLE; 2 (4 PYRIDINYL) 1,3 BENZOTHIAZOLE; 2 (BROMOPHENYL) 1,3 BENZOTHIAZOLE; 2 (ETHOXYPHENYL) 1,3 BENZOTHIAZOLE; 3 (1,3 BENZOTHIAZOL 2 YL) 1,2 BENZENEDIOL; 3 (1,3 BENZOTHIAZOL 2 YL)PHENOL; 4 (1,3 BENZOTHIAZOL 2 YL) 1,2 BENZENEDIOL; 4 (1,3 BENZOTHIAZOL 2 YL) 1,3 BENZENEDIOL; 4 (1,3 BENZOTHIAZOL 2 YL) N,N DIMETHYLANILINE; 4 (1,3 BENZOTHIAZOL 2 YL)PHENOL; 5 (1,3 BENZOTHIAZOL 2 YL) 1,2,4 BENZENETRIOL; BENZOTHIAZOLE DERIVATIVE; BETA GLUCURONIDASE; BETA GLUCURONIDASE INHIBITOR; ENZYME INHIBITOR; SACCHAROLACTONE; UNCLASSIFIED DRUG; UNINDEXED DRUG;

ANIMAL CELL; ANIMAL TISSUE; ARTICLE; BINDING AFFINITY; CONTROLLED STUDY; CRYSTAL STRUCTURE; CRYSTALLIZATION; DRUG CYTOTOXICITY; DRUG EFFICACY; DRUG POTENCY; DRUG STRUCTURE; DRUG SYNTHESIS; IC 50; MASS SPECTROMETRY; MOLECULAR DOCKING; NONHUMAN; PROTON NUCLEAR MAGNETIC RESONANCE; STRUCTURE ACTIVITY RELATION;

ANIMALS; BENZOTHIAZOLES; BINDING SITES; CATTLE; CRYSTALLOGRAPHY, X-RAY; GLUCURONIDASE; GLYCOPROTEINS; HUMANS; LIVER; MODELS, MOLECULAR; MOLECULAR STRUCTURE; STEREOISOMERISM; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 79959974215     PISSN: 09680896     EISSN: 14643391     Source Type: Journal    
DOI: 10.1016/j.bmc.2011.05.052     Document Type: Article

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