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Synthesis, biological evaluation and molecular modeling investigation of some new benzimidazole analogs as antiviral agents
SPJ-Saudi Pharmaceutical Journal. 2008; 16 (2): 103-111
in English | IMEMR | ID: emr-99309
ABSTRACT
A set of heterocyclic benzimidazole derivatives bearing 1,3,5-triazine group with different substituents at C-2 and C-5 of the benzimidazole ring have been synthesized and evaluated for their antiviral activities against HSV-1. The structures of these compounds have been established by analytical data, IR spectra, [1]H NMR, and mass spectra. Compounds 8a and 8b proved to be the most active antiherpetic agents in this study, at EC[50]% concentrations of 2.9, 3.4 mg/ml, respectively. Computational evaluation of the quantum chemical descriptors such as hydrophobicity [log P], HOMO and LUMO, and the gap energy, were calculated and correlated with the antiviral activity. The tested compounds showed proper degree of hydrophobicity [<0.5 - >5]. The HOMO-LUMO gap energy values of the tested compounds are comparable with the observed values for the antiviral drug, Acyclovir
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Index: IMEMR (Eastern Mediterranean) Main subject: Antiviral Agents / Triazines / Benzimidazoles / Drug Design / Drug Evaluation / Hydrophobic and Hydrophilic Interactions Language: English Journal: Saudi Pharm. J. Year: 2008

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Index: IMEMR (Eastern Mediterranean) Main subject: Antiviral Agents / Triazines / Benzimidazoles / Drug Design / Drug Evaluation / Hydrophobic and Hydrophilic Interactions Language: English Journal: Saudi Pharm. J. Year: 2008