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Hybrid docking-QSAR studies of DPP-IV inhibition activities of a series of aminomethyl-piperidones
Institution:1. Chemometrics Laboratory, Faculty of Chemistry, University of Mazandaran, Babolsar 47416-95447, Iran;2. Laboratory of Bioinformatics and Drug Design, Department of Bioinformatics, Institute of Biochemistry and Biophysics, University of Tehran, Tehran, Iran;1. College of Life Science, Northwest Normal University, Lanzhou 730070, China;2. Bioactive Products Engineering Research Center for Gansu Distinctive Plants, Lanzhou 730070, China;3. Lanzhou Vocational Technical College, Lanzhou 730070, China;1. School of Chemistry and Pharmaceutical Engineering, Qilu University of Technology (Shandong Academy of Sciences), 3501 Daxue Road, Jinan 250353, China;2. Clinical Pharmacy Laboratory, Huashan Hospital, Fudan University, 12 Wu Lu Mu Qi M Road, Shanghai 200040, China;3. State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chong Zhi Road, Shanghai 201203, China;1. Pharmaceutical Chemistry Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt;2. Pharmacognosy Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo, Egypt;3. National Center for Natural Products Research, University of Mississippi, MS 38677, USA;4. Department of Pharmaceutics and Drug Delivery University of Mississippi, University, MS 38677, USA;1. Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center, Omaha, NE 68198, United States;2. Center for Staphylococcal Research, Department of Pathology and Microbiology, University of Nebraska Medical Center, Omaha, NE 68198, United States;3. Department of Chemistry, University of Nebraska at Omaha, Omaha, NE 68182, United States;1. Department of Pathology, Chung-Shan Medical University and Chung Shan Medical University Hospital, Taichung, Taiwan;2. Nephrology Division, Department of Internal Medicine, Chi Mei Medical Center, Tainan, Taiwan;3. Department of Holistic Wellness, Ming Dao University, Changhua, Taiwan;4. Institute of Biochemistry and Biotechnology, Chung Shan Medical University, Taichung, Taiwan;5. Clinical Laboratory, Chung Shan Medical University Hospital, Taichung, Taiwan;6. Department of Biochemistry, School of Medicine, Chung Shan Medical University, Taichung, Taiwan;1. Department of Obstetrics and Gynecology, Shandong University Affiliated Jinan Center Hospital, Jinan, Shandong 250013, China;2. Department of Women and Children Health Care, Jinan Lixia District Public Health Bureau Maternity and Child Care Center, Jinan, Shandong 250011, China;3. Department of Clinical Laboratory, Jinan Changqing District Ping’an Sub-district Community Service Center, Jinan, Shandong 250306, China
Abstract:
Keywords:Quantitative structure activity relationship  Molecular docking  LM-ANN  Autodock  Diabetes mellitus type 2
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