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Microwave assisted synthesis, docking and antimalarial evaluation of hybrid PABA-substituted 1,3,5-triazine derivatives
被引:18
|作者:
Adhikari, Nayana
[1
]
Kashyap, Ankita
[1
]
Shakya, Anshul
[1
]
Ghosh, Surajit Kumar
[1
]
Bhattacharyya, Dibya Ranjan
[2
]
Bhat, Hans Raj
[1
]
Singh, Udaya Pratap
[3
]
机构:
[1] Dibrugarh Univ, Dept Pharmaceut Sci, Dibrugarh 786004, Assam, India
[2] Indian Council Med Res, Reg Med Res Ctr, Dibrugarh, Assam, India
[3] Sam Higginbottom Univ Agr Technol & Sci, Dept Pharmaceut Sci, Drug Design & Discovery Lab, Allahabad, Uttar Pradesh, India
关键词:
DIHYDROFOLATE-REDUCTASE;
ANTIBACTERIAL;
PREDICTION;
RESISTANCE;
DESIGN;
D O I:
10.1002/jhet.3955
中图分类号:
O62 [有机化学];
学科分类号:
070303 ;
081704 ;
摘要:
A series of novel PABA-substituted 1,3,5-triazine derivatives were developed via microwave assisted synthesis and subsequently tested for antimalarial activity against chloroquine sensitive 3D7 strain of Plasmodium falciparum using chloroquine as standard. Antimalarial screening result showed that synthesized compounds exhibited IC50 in the range of 4.46 to 79.72 mu g mL(-1). Among the tested compounds, 4c and 4f showed significant antimalarial activity with low binding energies (BE) -172.32 and 160.41 kcal mol(-1) via interacting with Arg122 through the involvement of COOH of the phenyl linked to 1,3,5-triazine. In conclusion, these core scaffolds can be used for future antimalarial drug development.
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页码:2389 / 2399
页数:11
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