Noncovalent interactions play a dominant role in many forefront areas of modern chemistry,
from materials design to molecular biology. A detailed understanding of the physical origin …

Pharmacology over the past 100 years has had a rich tradition of scientists with the ability to
form qualitative or semi‐quantitative relations between molecular structure and activity in …

The Organic Chemistry of Drug Design and Drug Action, Third Edition, represents a unique
approach to medicinal chemistry based on physical organic chemical principles and …

Computational (in silico) methods have been developed and widely applied to
pharmacology hypothesis development and testing. These in silico methods include …

HIV-1 integrase is an attractive target for anti-retroviral chemotherapy, but to date no
clinically useful inhibitors have been developed. We have screened diverse marine natural …

On the basis of the fact that several polynucleotidyl transferases, related to HIV integrase,
contain in their active site two divalent metal cations, separated by ca. 4 Å, new potential HIV …

Seventeen lichen acids comprising depsides, depsidones, and their synthetic derivatives
have been examined for their inhibitory activity against HIV-1 integrase, and two …

We present the first receptor-based pharmacophore model for HIV-1 integrase. The
development of “dynamic” pharmacophore models is a new method that accounts for the …

Current pharmacological agents for human immunodeficiency virus (HIV) infection include
drugs targeted against HIV reverse transcriptase and HIV protease. An understudied …

HIV-1 integrase (IN) is one of three essential enzymes (along with reverse transcriptase and
protease) encoded by the viral pol gene. IN mediates two critical reactions during viral …