STRUCTURE-ACTIVITY RELATIONSHIP, ATOMIC ELECTRON DENSITY AND CONFORMATIONAL INVESTIGATION OF FENTANYL ANALOGUES

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NEZAM ALESLAM T.; JAVAHERI B.; SHAKIBA NAHAD M.; FAKHRAEIAN H.

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Journal: Advanced Defense Science and Technology Year:2010 | Volume:1 | Issue:1 Page(s): 23-31

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Title

STRUCTURE-ACTIVITY RELATIONSHIP, ATOMIC ELECTRON DENSITY AND CONFORMATIONAL INVESTIGATION OF FENTANYL ANALOGUES

Author(s)

NEZAM ALESLAM T. | JAVAHERI B. | SHAKIBA NAHAD M. | FAKHRAEIAN H. | Issue Writer Certificate

Keywords

FENTANYLQ3

ANESTHETICSQ3

ANALGESICQ3

STRUCTURE-ACTIVITY RELATIONSHIPQ3

Abstract

FENTANYL and its analogues are highly potent and clinically widely used as narcotic ANALGESICs and represent a particular class of ì agonist. These compounds are known as non-lethal chemical warfare agents. A very large number of FENTANYL analogues (FA) have been synthesized, with the aim of establishing STRUCTURE-ACTIVITY RELATIONSHIP (SAR) and finding clinically more useful drugs with better pharmaceutical profile such as high potency and less side effects (e. g. respiratory depression and lower addiction potential). The most well-known FA is 3-methyl FENTANYL, ohmeFENTANYL, lofentanil, carfentanil, alfentanil and sufentanil. ED50 of different FA are reported but these data are not considered all together to deduce STRUCTURE-ACTIVITY RELATIONSHIP. In this contribution, the effect of 5 groups contributing to the ANALGESIC activity of FA (70 compounds) are reinvestigated. The best groups are determined and more effective FENTANYL analogue is suggested. We have tried to determine the relative weight of effective groups on ED50 of FA, but comparison of different data indicates that actions of different groups on ED50 are not independent. In another part, atomic electron density and conformational studies of FA by abinitio methods are correlated with their respective ED50.

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APA: Copy

NEZAM ALESLAM, T., JAVAHERI, B., SHAKIBA NAHAD, M., & FAKHRAEIAN, H.. (2010). STRUCTURE-ACTIVITY RELATIONSHIP, ATOMIC ELECTRON DENSITY AND CONFORMATIONAL INVESTIGATION OF FENTANYL ANALOGUES. (JOURNAL OF ADVANCED DEFENCE SCIENCE AND TECHNOLOGY) JOURNAL OF PASSIVE DEFENCE SCIENCE AND TECHNOLOGY, 1(1), 23-31. SID. https://sid.ir/paper/167503/en

Vancouver: Copy

NEZAM ALESLAM T., JAVAHERI B., SHAKIBA NAHAD M., FAKHRAEIAN H.. STRUCTURE-ACTIVITY RELATIONSHIP, ATOMIC ELECTRON DENSITY AND CONFORMATIONAL INVESTIGATION OF FENTANYL ANALOGUES. (JOURNAL OF ADVANCED DEFENCE SCIENCE AND TECHNOLOGY) JOURNAL OF PASSIVE DEFENCE SCIENCE AND TECHNOLOGY[Internet]. 2010;1(1):23-31. Available from: https://sid.ir/paper/167503/en

IEEE: Copy

T. NEZAM ALESLAM, B. JAVAHERI, M. SHAKIBA NAHAD, and H. FAKHRAEIAN, “STRUCTURE-ACTIVITY RELATIONSHIP, ATOMIC ELECTRON DENSITY AND CONFORMATIONAL INVESTIGATION OF FENTANYL ANALOGUES,” (JOURNAL OF ADVANCED DEFENCE SCIENCE AND TECHNOLOGY) JOURNAL OF PASSIVE DEFENCE SCIENCE AND TECHNOLOGY, vol. 1, no. 1, pp. 23–31, 2010, [Online]. Available: https://sid.ir/paper/167503/en

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