Anti-Human Immunodeficiency Virus Activities of Nucleosides and Nucleotides: Correlation with Molecular Electrostatic Potential Data

Abstract

Examination of the anti-human immunodeficiency virus (HIV) data of some normal and isomeric dideoxynucleosides (ddNs and isoddNs), their three-dimensional (3-D

Investigation of nucleoside analogs with anti‐HIV activity

“…Ab initio theoretical calculations are proving to be useful tools for investigating a wide range of important biologic complexes 1, 2. Nucleoside analogs 3–52 constitute a family of biologic molecules that play an important role in the transcription process of the human immunodeficiency syndrome (HIV) virus. This class includes AZT (Fig.…”

Total synthesis of hydroxymethyl isonucleosides as potential antiviral agents

“…An attempt to invert the chirality at the C-3 position of 17 using benzoic acid-PPh 3 -DEAD was not successful probably due to the bulky trityl groups. However, under similar conditions using PPh 3 and I 2 the iodide 20 with inverted configuration at the C-3 position was produced in 87% yield.…”

“…Introduction of an additional hydroxymethyl group was of interest, not only because of the observation of anti-HIV activity associated with isomeric nucleosides in which the adenine ring and the -CH 2 OH have cis-1,3-and 1,2-relationships (2, Figure 1), 6,7 but also because of the known antiviral activity of natural oxetanocin and its ring expanded analog which bear an additional -CH 2 OH group. 8 The molecules targeted for synthesis (3)(4)(5) …”

“In Silico” Design of Potential Anti-HIV Actives Using Fragment Descriptors

“…Thus, partial least square, artificial neural network and multiple linear regression (MLR) methods involving 1D and/or 2D descriptors [9][10][11][12][13][14] or 3D descriptors [15][16][17], the 4D-QSAR technique [18], comparative molecular field analysis (CoMFA) [19][20][21][22][23] and electrostatic potential distribution [24,25] were used. Attempts to interpret the anti-HIV…”