Design,synthesis, in silico and in vitro studies of novel 4-methylthiazole-5-carboxylic acid derivatives as potent anti-cancer agents |
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| Institution: | 1. Department of Chemistry, Sri Venkateswara University, Tirupati 517502, India;2. Division of Animal Biotechnology, Department of Zoology, Sri Venkateswara University, Tirupati 517502, India;3. Department of Pathology, University of Virginia, Charlottesville, VA, USA;4. Mylan Laboratories Ltd, CRD, Anrich Industrial Estate, Bollaram, Hyderabad 502325, India;5. Department of Pharmacology & Toxicology and Higuchi Bioscience Center, School of Pharmacy, University of Kansas, Lawrence, KS 66047, United States;3. Department of Biological Sciences, Korea Advanced Institute of Science and Technology, Daejeon, 305-701;4. Department of Biological Sciences, Inha University, Incheon, 402-751, Korea;1. Faculty of Life Science and Technology, Kunming University of Science and Technology, Kunming 650504, PR China;2. Research Center for Analysis and Measurement, Kunming University of Science and Technology, Kunming 650500, PR China;1. Department of Chemistry, Rhodes University, Grahamstown 6140, South Africa;2. Biotechnology Innovation Centre, Rhodes University, Grahamstown 6140, South Africa;1. Integrated Product Development, Innovation Plaza, Dr. Reddy’s Laboratories Ltd, Bachupalli, Qutubullapur, R.R. Dist., 500090 Telangana, India;2. Centre for Chemical Sciences and Technology, IST, Jawaharlal Nehru Technological University Hyderabad, Kukatpally, 500085 Telangana, India |
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| Abstract: | Since inhibitors of mucin onco proteins are potential targets for breast cancer therapy, a series of novel 4-methylthiazole-5-carboxylic acid (1) derivatives 3a–k were synthesized by the reaction of 1 with SOCl2 followed by different bases/alcohols in the presence of triethylamine. Once synthesized and characterized, their binding modes with MUC1 were studied by molecular docking analysis using Aruglab 4.0.1 and QSAR properties were determined using HyperChem. All synthesized compounds were screened for in vitro anti-breast cancer activity against MDA-MB-231 breast adenocarcinoma cell lines by Trypan-blue cell viability assay and MTT methods. Compounds 1, 3b, 3d, 3e, 3i and 3f showed good anti-breast cancer activity. Since 1 and 3d exhibited high potent activity against MDA-MB-231 cell lines, they show could be effective mucin onco protein inhibitors. |
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| Keywords: | Breast cancer Mucin Molecular docking QSAR 4-methylthiazole-5-carboxylic acid derivatives |
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