Comparative Quantitative Structure−Activity Relationship Studies on Anti-HIV Drugs

High 1,4-syn-induction in the addition of chiral allyltrichlorostannanes to chiral aldehydes

“…[13][14][15][16][17] Allyltrichlorostannane additions to α-aminoaldehydes In recent years there has been a major research effort towards the development of clinically useful inhibitors of aspartyl proteases. [18][19][20][21] This worldwide search has led to various peptide isosteres, wherein the scissile peptide bond is replaced by a hydrolytically more stable isosteric functional group. In this context, the hydroxyl amino acid framework II in Figure 3, where the peptidic linkage of the sequence in structure I is replaced by a CH(OH)CH 2 group, constitutes a useful class of aspartyl protease inhibitors.…”

Synthesis of some new S-glycosyl pyrimidine and condensed pyrimidine derivatives

“…A variety of anticancer drugs made from pyrimidine derivatives have clinical use currently, the hydrazinopyrimidine-Scarbonitrile derivatives have antineoplastic activities [4]. Moreover, pyrimidines and condensed pyrimidines are important classes of heterocyclic compounds that exhibit broad spectrum of biological activities such as anticancer [5,6], antiinflammatory, anti -allergic and analgesic activity [7][8][9].…”

Improved QSAR modeling of anti-HIV-1 acivities by means of the optimized correlation weights of local graph invariants

“…A search in the Chemical Abstract database [5] for the "QSAR and HIV" query led to about 200 references describing structure-property relationships established using partial least-squares (PLS), artificial neural network (ANN), and multiple linear regression (MLR) methods involving one dimensional (1D) and/or two-dimensional (2D) descriptors [6][7][8][9][10][11] or three-dimensional (3D) descriptors [12,13], the four-dimensional (4D)-QSAR technique [14], comparative molecular field analysis (CoMFA) [15][16][17][18][19] and electrostatic potential distribution [20,21].…”

“…They systematically synthesized and tested numerous members of this family, differing in substituents X, Y, Z, and R. Here, Z was restricted to oxygen and/or sulfur. The potency was found to be enhanced by a 3,3-dimethylallyl substitution at the 8-position with Z = S. HEPT derivatives belong to type 2 class of HIV-1 RT inhibitors [6,45]. The X can be oxygen or sulfur however, it was observed that the former tends to produce a higher level of activity.…”

“…The X can be oxygen or sulfur however, it was observed that the former tends to produce a higher level of activity. Effectiveness in inhibiting HIV-1 was measured by the concentration of the compound, C 50 , required to achieve 50 % protection of MT-4 cells against the virus [6,44,45]. We considered the experimental results for thirty eight TIBO and nineteen HEPT derivatives as representative for developing regression equations for anti-HIV-1 potencies of these classes of compounds.…”