Shweta Sharma, Smrita Singh, M. Akhter, S. Paliwal
{"title":"(磺酰基)苯衍生物抗HIV药物的相似性分析研究","authors":"Shweta Sharma, Smrita Singh, M. Akhter, S. Paliwal","doi":"10.5958/2394-2797.2016.00025.3","DOIUrl":null,"url":null,"abstract":"Introduction: The present investigation was undertaken to understand the overlaying problems of mutation in HIV virus leading to failure to combat AIDS. \nMaterials 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. \nResults: The MLR model obtained using carbo method (N*N) similarity showing good predictive ability, r2 (training) = 0.655, r2(test) = 0.605. \nConclusion: 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. \n \nKeywords: Refractivity Similarity, Shape Simliarity, Carbo, MLR, Viral Nucleocapsid Protein Zinc Finger, HIV","PeriodicalId":14317,"journal":{"name":"International Journal of Pharmaceutical Chemistry","volume":"68 1","pages":"174-182"},"PeriodicalIF":0.0000,"publicationDate":"2016-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Similarity Analysis studies on (Sulfonyl) Benzene Derivatives as Anti HIV Agents\",\"authors\":\"Shweta Sharma, Smrita Singh, M. Akhter, S. Paliwal\",\"doi\":\"10.5958/2394-2797.2016.00025.3\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Introduction: The present investigation was undertaken to understand the overlaying problems of mutation in HIV virus leading to failure to combat AIDS. \\nMaterials 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. \\nResults: The MLR model obtained using carbo method (N*N) similarity showing good predictive ability, r2 (training) = 0.655, r2(test) = 0.605. \\nConclusion: 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. \\n \\nKeywords: Refractivity Similarity, Shape Simliarity, Carbo, MLR, Viral Nucleocapsid Protein Zinc Finger, HIV\",\"PeriodicalId\":14317,\"journal\":{\"name\":\"International Journal of Pharmaceutical Chemistry\",\"volume\":\"68 1\",\"pages\":\"174-182\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2016-10-15\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"International Journal of Pharmaceutical Chemistry\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.5958/2394-2797.2016.00025.3\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Pharmaceutical Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.5958/2394-2797.2016.00025.3","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
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