In silico Exploration of the Therapeutic Potential of Alkaloids as Anti-infective Agents

被引：0
作者：
Rani, Nidhi [1 ]
Kumar, Praveen [2 ]
Walia, Aditya [1 ]
Singh, Randhir [3 ]
机构：
[1] Chitkara Univ, Chitkara Coll Pharm, Chitkara, Punjab, India
[2] SunPharma, Hill Top Area,PO Barotiwala, Solan 174103, Himachal Prades, India
[3] Cent Univ Punjab, Dept Pharmaceut Sci, Bathinda, Punjab, India
来源：
LETTERS IN DRUG DESIGN & DISCOVERY | 2024年 / 21卷 / 15期
关键词：
ADMET study; alkaloids; 14; alpha-demethylase; molecular docking; omicron; transpeptidase; MOLECULAR DOCKING; DESIGN;
D O I：
10.2174/0115701808276535231212071700
中图分类号：
R914 [药物化学];
学科分类号：
100701 ;
摘要：
Background: Alkaloids are important phytoconstituents obtained from various plant sources. Methods: The main objective of the study was to evaluate the anti-infective potential of alkaloids against 14 alpha-demethylase, transpeptidase, and omicron spike protein using molecular docking studies. The potential constituents were identified and an ADMET study was performed. Results: The study concluded that reserpine and tubocurarine exhibited potential activity against the three tested enzymes with good ADMET profile. Conclusion: Reserpine and tubocurarine can further be explored to attain new candidates as anti-infective agents.
引用
收藏
页码：3307 / 3318
页数：12
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