Synthesis and biological evaluation of pyridinone analogues as novel potent HIV-1 NNRTIs.
Identifieur interne : 001231 ( Main/Exploration ); précédent : 001230; suivant : 001232Synthesis and biological evaluation of pyridinone analogues as novel potent HIV-1 NNRTIs.
Auteurs : Yuanyuan Cao [République populaire de Chine] ; Yu Zhang [République populaire de Chine] ; Shaotong Wu [République populaire de Chine] ; Quanzhi Yang [République populaire de Chine] ; Xuefeng Sun [République populaire de Chine] ; Jianxiong Zhao [République populaire de Chine] ; Fen Pei [République populaire de Chine] ; Ying Guo [République populaire de Chine] ; Chao Tian [République populaire de Chine] ; Zhili Zhang [République populaire de Chine] ; Haining Wang [République populaire de Chine] ; Liying Ma [République populaire de Chine] ; Junyi Liu [République populaire de Chine] ; Xiaowei Wang [République populaire de Chine]Source :
- Bioorganic & medicinal chemistry [ 1464-3391 ] ; 2015.
Descripteurs français
- KwdFr :
- Conception de médicament, Humains, Modèles moléculaires, Pyridones (), Pyridones (pharmacologie), Pyridones (synthèse chimique), Relation structure-activité, Simulation de docking moléculaire, Transcriptase inverse du VIH (), Transcriptase inverse du VIH (antagonistes et inhibiteurs), VIH-1 (Virus de l'Immunodéficience Humaine de type 1) (enzymologie).
- MESH :
- antagonistes et inhibiteurs : Transcriptase inverse du VIH.
- enzymologie : VIH-1 (Virus de l'Immunodéficience Humaine de type 1).
- pharmacologie : Pyridones.
- synthèse chimique : Pyridones.
- Conception de médicament, Humains, Modèles moléculaires, Pyridones, Relation structure-activité, Simulation de docking moléculaire, Transcriptase inverse du VIH.
English descriptors
- KwdEn :
- MESH :
- chemical , antagonists & inhibitors : HIV Reverse Transcriptase.
- chemical , chemical synthesis : Pyridones.
- chemical , chemistry : HIV Reverse Transcriptase, Pyridones.
- enzymology : HIV-1.
- chemical , pharmacology : Pyridones.
- Drug Design, Humans, Models, Molecular, Molecular Docking Simulation, Structure-Activity Relationship.
Abstract
A novel 2-pyridinone scaffold was rationally designed and synthesized based on the active anti-HIV agent 1 (LAM-trans) via an efficient method. The biological results revealed that some target compounds inhibited HIV-1 reverse transcriptase in the lower micromolar concentration range (IC50 0.089-0.68 μm). Notably, the most promising compound 25b exhibited extremely potent inhibitory activity against HIV-1 replication with an EC50 value of 0.0563 μM and the viral selectivity index amounted to 3466.8. Molecular modeling studies were performed, and some SARs were rationalized.
DOI: 10.1016/j.bmc.2014.11.012
PubMed: 25468035
Affiliations:
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442000, Hubei, China.</nlm:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China; Taihe Hospital Affiliated with Hubei University of Medicine, Shiyan 442000, Hubei</wicri:regionArea><orgName type="university">Université de Pékin</orgName><placeName><settlement type="city">Pékin</settlement><region type="capitale">Pékin</region></placeName></affiliation></author><author><name sortKey="Zhang, Yu" sort="Zhang, Yu" uniqKey="Zhang Y" first="Yu" last="Zhang">Yu Zhang</name><affiliation wicri:level="4"><nlm:affiliation>Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China.</nlm:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191</wicri:regionArea><placeName><settlement type="city">Pékin</settlement></placeName><orgName type="university">Université de Pékin</orgName><placeName><settlement type="city">Pékin</settlement><region type="capitale">Pékin</region></placeName></affiliation></author><author><name sortKey="Wu, Shaotong" sort="Wu, Shaotong" uniqKey="Wu S" first="Shaotong" last="Wu">Shaotong Wu</name><affiliation wicri:level="4"><nlm:affiliation>Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China.</nlm:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191</wicri:regionArea><placeName><settlement type="city">Pékin</settlement></placeName><orgName type="university">Université de Pékin</orgName><placeName><settlement type="city">Pékin</settlement><region type="capitale">Pékin</region></placeName></affiliation></author><author><name sortKey="Yang, Quanzhi" sort="Yang, Quanzhi" uniqKey="Yang Q" first="Quanzhi" last="Yang">Quanzhi Yang</name><affiliation wicri:level="4"><nlm:affiliation>Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China.</nlm:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191</wicri:regionArea><placeName><settlement type="city">Pékin</settlement></placeName><orgName type="university">Université de Pékin</orgName><placeName><settlement type="city">Pékin</settlement><region type="capitale">Pékin</region></placeName></affiliation></author><author><name sortKey="Sun, Xuefeng" sort="Sun, Xuefeng" uniqKey="Sun X" first="Xuefeng" last="Sun">Xuefeng Sun</name><affiliation wicri:level="4"><nlm:affiliation>Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China.</nlm:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191</wicri:regionArea><placeName><settlement type="city">Pékin</settlement></placeName><orgName type="university">Université de Pékin</orgName><placeName><settlement type="city">Pékin</settlement><region type="capitale">Pékin</region></placeName></affiliation></author><author><name sortKey="Zhao, Jianxiong" sort="Zhao, Jianxiong" uniqKey="Zhao J" first="Jianxiong" last="Zhao">Jianxiong Zhao</name><affiliation wicri:level="4"><nlm:affiliation>Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China.</nlm:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191</wicri:regionArea><placeName><settlement type="city">Pékin</settlement></placeName><orgName type="university">Université de Pékin</orgName><placeName><settlement type="city">Pékin</settlement><region type="capitale">Pékin</region></placeName></affiliation></author><author><name sortKey="Pei, Fen" sort="Pei, Fen" uniqKey="Pei F" first="Fen" last="Pei">Fen Pei</name><affiliation wicri:level="4"><nlm:affiliation>Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China.</nlm:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191</wicri:regionArea><placeName><settlement type="city">Pékin</settlement></placeName><orgName type="university">Université de Pékin</orgName><placeName><settlement type="city">Pékin</settlement><region type="capitale">Pékin</region></placeName></affiliation></author><author><name sortKey="Guo, Ying" sort="Guo, Ying" uniqKey="Guo Y" first="Ying" last="Guo">Ying Guo</name><affiliation wicri:level="4"><nlm:affiliation>Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China.</nlm:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191</wicri:regionArea><placeName><settlement type="city">Pékin</settlement></placeName><orgName type="university">Université de Pékin</orgName><placeName><settlement type="city">Pékin</settlement><region type="capitale">Pékin</region></placeName></affiliation></author><author><name sortKey="Tian, Chao" sort="Tian, Chao" uniqKey="Tian C" first="Chao" last="Tian">Chao Tian</name><affiliation wicri:level="4"><nlm:affiliation>Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China.</nlm:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191</wicri:regionArea><placeName><settlement type="city">Pékin</settlement></placeName><orgName type="university">Université de Pékin</orgName><placeName><settlement type="city">Pékin</settlement><region type="capitale">Pékin</region></placeName></affiliation></author><author><name sortKey="Zhang, Zhili" sort="Zhang, Zhili" uniqKey="Zhang Z" first="Zhili" last="Zhang">Zhili Zhang</name><affiliation wicri:level="4"><nlm:affiliation>Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China.</nlm:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191</wicri:regionArea><placeName><settlement type="city">Pékin</settlement></placeName><orgName type="university">Université de Pékin</orgName><placeName><settlement type="city">Pékin</settlement><region type="capitale">Pékin</region></placeName></affiliation></author><author><name sortKey="Wang, Haining" sort="Wang, Haining" uniqKey="Wang H" first="Haining" last="Wang">Haining Wang</name><affiliation wicri:level="1"><nlm:affiliation>State Key Laboratory for Infection Disease Prevention and Control, National Center for AIDS/STD Control and Prevention (NCAIDS), Chinese Center for Disease Control and Prevention, Beijing 102206, China.</nlm:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>State Key Laboratory for Infection Disease Prevention and Control, National Center for AIDS/STD Control and Prevention (NCAIDS), Chinese Center for Disease Control and Prevention, Beijing 102206</wicri:regionArea><placeName><settlement type="city">Pékin</settlement></placeName></affiliation></author><author><name sortKey="Ma, Liying" sort="Ma, Liying" uniqKey="Ma L" first="Liying" last="Ma">Liying Ma</name><affiliation wicri:level="1"><nlm:affiliation>State Key Laboratory for Infection Disease Prevention and Control, National Center for AIDS/STD Control and Prevention (NCAIDS), Chinese Center for Disease Control and Prevention, Beijing 102206, China.</nlm:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>State Key Laboratory for Infection Disease Prevention and Control, National Center for AIDS/STD Control and Prevention (NCAIDS), Chinese Center for Disease Control and Prevention, Beijing 102206</wicri:regionArea><placeName><settlement type="city">Pékin</settlement></placeName></affiliation></author><author><name sortKey="Liu, Junyi" sort="Liu, Junyi" uniqKey="Liu J" first="Junyi" last="Liu">Junyi Liu</name><affiliation wicri:level="4"><nlm:affiliation>Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China; State Key Laboratory of Natural and Biomimetic Drugs, Peking University, Beijing 100191, China.</nlm:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China; State Key Laboratory of Natural and Biomimetic Drugs, Peking University, Beijing 100191</wicri:regionArea><placeName><settlement type="city">Pékin</settlement></placeName><orgName type="university">Université de Pékin</orgName><placeName><settlement type="city">Pékin</settlement><region type="capitale">Pékin</region></placeName></affiliation></author><author><name sortKey="Wang, Xiaowei" sort="Wang, Xiaowei" uniqKey="Wang X" first="Xiaowei" last="Wang">Xiaowei Wang</name><affiliation wicri:level="4"><nlm:affiliation>Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China. Electronic address: xiaoweiwang@bjmu.edu.cn.</nlm:affiliation><country xml:lang="fr">République populaire de Chine</country><wicri:regionArea>Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191</wicri:regionArea><placeName><settlement type="city">Pékin</settlement></placeName><orgName type="university">Université de Pékin</orgName><placeName><settlement type="city">Pékin</settlement><region type="capitale">Pékin</region></placeName></affiliation></author></analytic><series><title level="j">Bioorganic & medicinal chemistry</title><idno type="eISSN">1464-3391</idno><imprint><date when="2015" type="published">2015</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Drug Design</term><term>HIV Reverse Transcriptase (antagonists & inhibitors)</term><term>HIV Reverse Transcriptase (chemistry)</term><term>HIV-1 (enzymology)</term><term>Humans</term><term>Models, Molecular</term><term>Molecular Docking Simulation</term><term>Pyridones (chemical synthesis)</term><term>Pyridones (chemistry)</term><term>Pyridones (pharmacology)</term><term>Structure-Activity Relationship</term></keywords><keywords scheme="KwdFr" xml:lang="fr"><term>Conception de médicament</term><term>Humains</term><term>Modèles moléculaires</term><term>Pyridones ()</term><term>Pyridones (pharmacologie)</term><term>Pyridones (synthèse chimique)</term><term>Relation structure-activité</term><term>Simulation de docking moléculaire</term><term>Transcriptase inverse du VIH ()</term><term>Transcriptase inverse du VIH (antagonistes et inhibiteurs)</term><term>VIH-1 (Virus de l'Immunodéficience Humaine de type 1) (enzymologie)</term></keywords><keywords scheme="MESH" type="chemical" qualifier="antagonists & inhibitors" xml:lang="en"><term>HIV Reverse Transcriptase</term></keywords><keywords scheme="MESH" type="chemical" qualifier="chemical synthesis" xml:lang="en"><term>Pyridones</term></keywords><keywords scheme="MESH" type="chemical" qualifier="chemistry" xml:lang="en"><term>HIV Reverse Transcriptase</term><term>Pyridones</term></keywords><keywords scheme="MESH" qualifier="antagonistes et inhibiteurs" xml:lang="fr"><term>Transcriptase inverse du VIH</term></keywords><keywords scheme="MESH" qualifier="enzymologie" xml:lang="fr"><term>VIH-1 (Virus de l'Immunodéficience Humaine de type 1)</term></keywords><keywords scheme="MESH" qualifier="enzymology" xml:lang="en"><term>HIV-1</term></keywords><keywords scheme="MESH" qualifier="pharmacologie" xml:lang="fr"><term>Pyridones</term></keywords><keywords scheme="MESH" type="chemical" qualifier="pharmacology" xml:lang="en"><term>Pyridones</term></keywords><keywords scheme="MESH" qualifier="synthèse chimique" xml:lang="fr"><term>Pyridones</term></keywords><keywords scheme="MESH" xml:lang="en"><term>Drug Design</term><term>Humans</term><term>Models, Molecular</term><term>Molecular Docking Simulation</term><term>Structure-Activity Relationship</term></keywords><keywords scheme="MESH" xml:lang="fr"><term>Conception de médicament</term><term>Humains</term><term>Modèles moléculaires</term><term>Pyridones</term><term>Relation structure-activité</term><term>Simulation de docking moléculaire</term><term>Transcriptase inverse du VIH</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">A novel 2-pyridinone scaffold was rationally designed and synthesized based on the active anti-HIV agent 1 (LAM-trans) via an efficient method. The biological results revealed that some target compounds inhibited HIV-1 reverse transcriptase in the lower micromolar concentration range (IC50 0.089-0.68 μm). Notably, the most promising compound 25b exhibited extremely potent inhibitory activity against HIV-1 replication with an EC50 value of 0.0563 μM and the viral selectivity index amounted to 3466.8. Molecular modeling studies were performed, and some SARs were rationalized.</div></front></TEI><affiliations><list><country><li>République populaire de Chine</li></country><region><li>Pékin</li></region><settlement><li>Pékin</li></settlement><orgName><li>Université de Pékin</li></orgName></list><tree><country name="République populaire de Chine"><region name="Pékin"><name sortKey="Cao, Yuanyuan" sort="Cao, Yuanyuan" uniqKey="Cao Y" first="Yuanyuan" last="Cao">Yuanyuan Cao</name></region><name sortKey="Guo, Ying" sort="Guo, Ying" uniqKey="Guo Y" first="Ying" last="Guo">Ying Guo</name><name sortKey="Liu, Junyi" sort="Liu, Junyi" uniqKey="Liu J" first="Junyi" last="Liu">Junyi Liu</name><name sortKey="Ma, Liying" sort="Ma, Liying" uniqKey="Ma L" first="Liying" last="Ma">Liying Ma</name><name sortKey="Pei, Fen" sort="Pei, Fen" uniqKey="Pei F" first="Fen" last="Pei">Fen Pei</name><name sortKey="Sun, Xuefeng" sort="Sun, Xuefeng" uniqKey="Sun X" first="Xuefeng" last="Sun">Xuefeng Sun</name><name sortKey="Tian, Chao" sort="Tian, Chao" uniqKey="Tian C" first="Chao" last="Tian">Chao Tian</name><name sortKey="Wang, Haining" sort="Wang, Haining" uniqKey="Wang H" first="Haining" last="Wang">Haining Wang</name><name sortKey="Wang, Xiaowei" sort="Wang, Xiaowei" uniqKey="Wang X" first="Xiaowei" last="Wang">Xiaowei Wang</name><name sortKey="Wu, Shaotong" sort="Wu, Shaotong" uniqKey="Wu S" first="Shaotong" last="Wu">Shaotong Wu</name><name sortKey="Yang, Quanzhi" sort="Yang, Quanzhi" uniqKey="Yang Q" first="Quanzhi" last="Yang">Quanzhi Yang</name><name sortKey="Zhang, Yu" sort="Zhang, Yu" uniqKey="Zhang Y" first="Yu" last="Zhang">Yu Zhang</name><name sortKey="Zhang, Zhili" sort="Zhang, Zhili" uniqKey="Zhang Z" first="Zhili" last="Zhang">Zhili Zhang</name><name sortKey="Zhao, Jianxiong" sort="Zhao, Jianxiong" uniqKey="Zhao J" first="Jianxiong" last="Zhao">Jianxiong Zhao</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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