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Research Article

Quantitative structure–activity relationship study of new potent and selective antagonists at the 5-HT_1A and adrenergic α_1d receptors: Derivatives of spiroethyl phenyl(substituted)piperazine

B. K. Sharma Department of Chemistry, S.K. Government College, Sikar, 332 001, India

P. Singh Department of Chemistry, S.K. Government College, Sikar, 332 001, India

Susheela Sharma Department of Engineering Chemistry, Sobhasaria Engineering College, Sikar, 332 001, India

Figures & data

Figure 1 Structure of spiroethyl phenyl(substituted)piperazine derivatives.

Table I. QSAR parameters and antagonistic activities of substituted phenylpiperazine derivatives at the 5-HT_1A and α_1d receptors (see for structure).

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Table II. Stepwise development of equation (1) pK_i = a₀ + a₁MR₂ + a₂ F₃ + a₃π₄ + a₄MR₅ + a₅I₂ for n=34.

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Table III. Stepwise development of equation (3) pK_i = b₀ + b₁V_w(3) + b₂R₄ + b₃MR₅ + b₄R₅ + b₅I_3,5 for n=37.

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Table IV. The intercorrelation matrix^a amongst the independent variables of equation (2).

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Table V. The intercorrelation matrix^a amongst the independent variables of equation (4).

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Table VI. QSAR model equations using external validation method.

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Quantitative structure–activity relationship study of new potent and selective antagonists at the 5-HT_1A and adrenergic α_1d receptors: Derivatives of spiroethyl phenyl(substituted)piperazine

Table I. QSAR parameters and antagonistic activities of substituted phenylpiperazine derivatives at the 5-HT_1A and α_1d receptors (see for structure).

Table II. Stepwise development of equation (1) pK_i = a₀ + a₁MR₂ + a₂ F₃ + a₃π₄ + a₄MR₅ + a₅I₂ for n=34.

Table III. Stepwise development of equation (3) pK_i = b₀ + b₁V_w(3) + b₂R₄ + b₃MR₅ + b₄R₅ + b₅I_3,5 for n=37.

Table IV. The intercorrelation matrix^a amongst the independent variables of equation (2).

Table V. The intercorrelation matrix^a amongst the independent variables of equation (4).

Table VI. QSAR model equations using external validation method.

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Quantitative structure–activity relationship study of new potent and selective antagonists at the 5-HT1A and adrenergic α1d receptors: Derivatives of spiroethyl phenyl(substituted)piperazine

Figures & data

Table I. QSAR parameters and antagonistic activities of substituted phenylpiperazine derivatives at the 5-HT1A and α1d receptors (see Figure 1 for structure).

Table II. Stepwise development of equation (1) pKi = a0 + a1MR2 + a2 F3 + a3π4 + a4MR5 + a5I2 for n=34.

Table III. Stepwise development of equation (3) pKi = b0 + b1Vw(3) + b2R4 + b3MR5 + b4R5 + b5I3,5 for n=37.

Table IV. The intercorrelation matrixa amongst the independent variables of equation (2).

Table V. The intercorrelation matrixa amongst the independent variables of equation (4).

Table VI. QSAR model equations using external validation method.

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Quantitative structure–activity relationship study of new potent and selective antagonists at the 5-HT_1A and adrenergic α_1d receptors: Derivatives of spiroethyl phenyl(substituted)piperazine

Table I. QSAR parameters and antagonistic activities of substituted phenylpiperazine derivatives at the 5-HT_1A and α_1d receptors (see for structure).

Table II. Stepwise development of equation (1) pK_i = a₀ + a₁MR₂ + a₂ F₃ + a₃π₄ + a₄MR₅ + a₅I₂ for n=34.

Table III. Stepwise development of equation (3) pK_i = b₀ + b₁V_w(3) + b₂R₄ + b₃MR₅ + b₄R₅ + b₅I_3,5 for n=37.

Table IV. The intercorrelation matrix^a amongst the independent variables of equation (2).

Table V. The intercorrelation matrix^a amongst the independent variables of equation (4).