(磺酰基)苯衍生物抗HIV药物的相似性分析研究

Shweta Sharma, Smrita Singh, M. Akhter, S. Paliwal
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摘要

前言:本研究的目的是了解HIV病毒突变导致艾滋病防治失败的叠加问题。材料与方法:对报道的71种(磺酰)苯类似物作为HIV病毒核衣壳蛋白锌指调节剂进行了多元线性回归(MLR)分析。结果:采用carbo法得到的MLR模型(N*N)相似度具有较好的预测能力,r2(训练)= 0.655,r2(检验)= 0.605。结论:折射相似性(极化率和体积)和形状相似性是预测病毒核衣壳蛋白锌指抑制剂活性的重要参数。关键词:折射率相似性,形状相似性,碳,MLR,病毒核衣壳蛋白锌指,HIV
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Similarity Analysis studies on (Sulfonyl) Benzene Derivatives as Anti HIV Agents
Introduction: The present investigation was undertaken to understand the overlaying problems of mutation in HIV virus leading to failure to combat AIDS. Materials and Methods: In present study Multiple Linear Regression (MLR) analysis was carried on a series of 71(sulfonyl) benzene analogs reported as viral nucleocapsid protein zinc finger modulators for HIV. Results: The MLR model obtained using carbo method (N*N) similarity showing good predictive ability, r2 (training) = 0.655, r2(test) = 0.605. Conclusion: The results indicated that Refractivity Similarity (polarizability and volume) and Shape Similarity are important parameters in predicting the activity of viral nucleocapsid protein zinc finger inhibitors. Keywords: Refractivity Similarity, Shape Simliarity, Carbo, MLR, Viral Nucleocapsid Protein Zinc Finger, HIV
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