Importance of the field: The past decade had witnessed remarkable advances in computer
science which had given rise to many new possibilities including the ability to simulate and …

HIV-1 (human immunodeficiency virus type-1) is the pathogenic retrovirus and causative
agent of AIDS. HIV-1 RT is one of the key enzymes in the duplication of HIV-1. Inhibitors of …

A linear quantitative structure activity relationship (QSAR) model is presented for modeling
and predicting the inhibition of HIV-1 integrase. The model was produced by using the …

Millions of people are living with human immunodeficiency virus type 1 (HIV-1), which
causes AIDS or AIDS-related complex. HIV-1 reverse transcriptase (RT) is one of the key …

Background: Design of inhibitors for HIV-1 reverse transcriptase inhibition (HIV-1 RT) is one
of the successful chemotherapies for the treatment of HIV infection. Among the inhibitors …

Abstract A 3D QSAR study was performed on 1, 2, 4-oxadiazole derivatives using the [(SW)
kNN MFA], CoMFA, and CoMSIA techniques. On the basis of 3D QSAR outcomes, new …

Caspase-3 has become an attractive target in the treatment of many diseases such as
Alzheimer, Parkinson's, myocardial infarction and cancer. In the present study, molecular …

A series of novel thiourea derivatives carrying the 5‐cylohexylamino‐1, 3, 4‐thiadiazole
moiety was synthesized and their anticonvulsant activity was evaluated. Structures of the …

Thiourea derivatives have been reported to possess many biological activities, among them
antiviral and antitumoral properties. As part of our continuing effort to develop new active …

The world is entering the third decade of the acquired immunodeficiency syndrome (AIDS)
pandemic. The primary cause of the disease has known to be human immunodeficiency …