ANTI-HIV Predictive Models Released by Simulations Plus
Simulations Plus, Inc. (AMEX: SLP), a leading provider of simulation and modeling software for pharmaceutical discovery and development, announced that it has released two new powerful predictive models that extend and enhance the capabilities of its class-leading ADMET Predictor software product. ADMET is a pharmaceutical industry acronym meaning Absorption, Distribution, Metabolism, Excretion and Toxicity.
Dr. Robert Fraczkiewicz, ADMET Predictor software product manager and team leader for ADMET Cheminformatics, said: “The new models we released today predict the ability of potential new drug molecules to interfere with the replication of the human immunodeficiency virus Type 1 (HIV-1) by interfering with an essential enzyme known as HIV integrase. This enzyme serves to catalyze the insertion of the viral genome into the host cell chromosome. Because integrase has no human counterpart, it is an attractive target for potential new drugs to combat HIV-1. Our proprietary model-building capabilities within ADMET Predictor have enabled us to build a predictive capability that allows pharmaceutical scientists to assess the likelihood of new chemical entities to interfere with the replication of the HIV virus in two ways: one model predicts the ability of a potential new drug compound to interfere with a process called strand transfer, while the second model predicts the ability of a potential new drug compound to interfere with what is known as 3′-processing. Both of these steps are essential for the virus to replicate and survive. To our knowledge, these are the most accurate models available for the prediction of these two activities.”
Ron Creeley, vice president of marketing and sales of Simulations Plus, added: “These new models are intended to help address a critical area of health care worldwide – the spread of HIV and AIDS. Combined with the numerous other predictive models in ADMET Predictor, chemists can quickly assess how changes to a lead compound not only affect the ability of their new compound to interfere with HIV-1, but also whether those changes provide acceptable properties without resulting in certain toxic side effects. All licensed users of ADMET Predictor will receive the new models as a no-cost extension to their current licenses.”