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

页码：3307 / 3318

页数：12

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