Computed molecular surface electrostatic potentials of two groups of reverse transcriptase inhibitors: Relationships to anti-HIV-1 activities

Gonzalez OG.; Peralta-Inga Z.; Politzer P.; Murray JS.

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Computed molecular surface electrostatic potentials of two groups of reverse transcriptase inhibitors: Relationships to anti-HIV-1 activities

机译：两组逆转录酶抑制剂的计算分子表面静电势：与抗HIV-1活性的关系

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We have used the GIPF approach (general interaction properties function) to develop analytical representations for the anti-HIV-l potencies of two groups of reverse transcriptase inhibitors. Their activities are expressed in terms of certain statistical properties of their molecular surface electrostatic potentials, computed at the HF/STO-5G*//HF/STO-3G* level. The results provide insight into some of the factors that promote inhibition. (C) 2001 John Wiley & Sons, Inc. [References: 21]

机译：我们已经使用GIPF方法（一般相互作用特性函数）来开发两组逆转录酶抑制剂的抗HIV-1效能的分析表示。它们的活性以分子表面静电势的某些统计特性表示，以HF / STO-5G * // HF / STO-3G *的水平计算。结果提供了对促进抑制的一些因素的了解。（C）2001 John Wiley＆Sons，Inc. [参考：21]

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《International Journal of Quantum Chemistry》 |2001年第4期|共7页
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Gonzalez OG.; Peralta-Inga Z.; Politzer P.; Murray JS.;
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1. Computed molecular surface electrostatic potentials of two groups of reverse transcriptase inhibitors: Relationships to anti-HIV-1 activities [J] . Gonzalez OG., Peralta-Inga Z., Politzer P., International Journal of Quantum Chemistry . 2001,第3a4期

机译：两组逆转录酶抑制剂的计算分子表面静电势：与抗HIV-1活性的关系
2. Three-dimensional quantitative structure-activity relationships study on HIV-1 reverse transcriptase inhibitors in the class of dipyridodiazepinone derivatives, using comparative molecular field analysis [J] . Pornpan Pungpo, Supa Hannongbua Journal of molecular graphics & modelling . 2000,第6期

机译：使用对偶二氮杂二酮衍生物类的HIV-1逆转录酶抑制剂的三维定量构效关系的比较分子场分析
3. Three-dimensional quantitative structure-activity relationships study on HIV-1 reverse transcriptase inhibitors in the class of dipyridodiazepinone derivatives, using comparative molecular field analysis [J] . Pornpan Pungpo, Supa Hannongbua Journal of molecular graphics & modelling . 2000,第6期

机译：使用对偶二氮杂二酮衍生物类的HIV-1逆转录酶抑制剂的三维定量构效关系的比较分子场分析
4. Reactivity Of Etoricoxib Based On Computational Study Of Molecular Orbitals, Molecular Electrostatic Potential Surface And Mulliken Charge Analysis [C] . Ritika Sachdeva, Abhinav Soni, V.P. Singh, International Conference on Condensed Matter and Applied Physics . 2017

机译：基于分子轨道的计算研究，分子静电电位表面和Mulliken电荷分析的Etoricoxib的反应性
5. Mechanisms by which nonnucleoside reverse transcriptase inhibitors block HIV-1 replication alone and in combination with other reverse transcriptase inhibitors [D] . Radzio, Jessica Ann 2010

机译：非核苷类逆转录酶抑制剂单独或与其他逆转录酶抑制剂合用可阻断HIV-1复制的机制
6. 113-Trioxo-2H4H-Thieno34-e124Thiadiazine (TTD) Derivatives: a New Class of Nonnucleoside Human Immunodeficiency Virus Type 1 (HIV-1) Reverse Transcriptase Inhibitors with Anti-HIV-1 Activity [O] . M. Witvrouw, M. E. Arranz, C. Pannecouque, 1998

机译：113-Trioxo-2H4H-硫杂34-e 124噻二嗪（TTD）衍生物：新型非核苷类人免疫缺陷病毒1型（HIV-1）逆转录酶具有抗HIV-1活性的抑制剂
7. Naphthalenesulphonic Acid Derivatives as Potential anti-HIV-1 Agents. Chemistry, Biology and Molecular Modelling of Their Inhibition of Reverse Transcriptase [O] . P. Mohan, A. J. Hopfinger, M. Baba 1991

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Computed molecular surface electrostatic potentials of two groups of reverse transcriptase inhibitors: Relationships to anti-HIV-1 activities

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