Achieving Success in AI-Driven Drug Design with Simulations Plus and IMB PAS Collaboration

Simulations Plus and the Institute of Medical Biology of the Polish Academy of Sciences collaborated on an AI-driven drug design project using ADMET Predictor. The study developed models to predict RORγ/RORγT ligand potency, designed potential ligands, and completed in vitro potency and toxicity testing. Results showed that 70% of tested compounds demonstrated significant inhibition of RORγT activity, with one compound exhibiting potent inverse agonist activity and favorable drug-like properties.

AIM ImmunoTech Inc. (NYSE American: AIM) today reported positive data in a mid-year update from the ongoing Phase 2 clinical study evaluating AIM’s drug Ampligen® (rintatolimod) combined with AstraZeneca’s anti-PD-L1 immune checkpoint inhibitor Imfinzi® (durvalumab) in the treatment of metastatic pancreatic cancer patients with stable disease post-FOLFIRINOX (the “DURIPANC” study) [1].

The DURIPANC study — a joint collaboration with AstraZeneca and Erasmus Medical Center (“Erasmus MC”) in the Netherlands — is an investigator-initiated, exploratory, open-label, single-center study expected to enroll up to 25 subjects in the Phase 2 portion. As of the mid-year report, 14 subjects have been enrolled. The primary objective of the study is the clinical benefit rate of the combination therapy; the secondary/exploratory objectives include assessing overall survival (OS), progression-free survival (PFS) and initiating immune-monitoring using available tissue biopsies and peripheral immune profiling [1].

Key findings from the mid-year report include no significant toxicity in post-chemotherapy patients, approximately 21% of patients showing PFS 6 months, and 64% of eligible patients achieving OS 6 months [1]. These results are particularly noteworthy because pancreatic cancer typically shows minimal response to immunotherapy approaches. The standard treatment pathway involving FOLFIRINOX chemotherapy often sees limited benefit from maintenance or second-line therapies. Compared to these data, the DURIPANC study mid-year report shows continuing promising early signs of both no significant toxicity and superior PFS and OS [1].

Simulations Plus, Inc. (Nasdaq: SLP) and the Institute of Medical Biology of the Polish Academy of Sciences (IMB PAS) recently announced results from their AI-driven drug design project using ADMET Predictor. The study developed models to predict RORγ/RORγT ligand potency, designed potential ligands, and completed in vitro potency and toxicity testing. Experimental results showed that 70% of tested compounds demonstrated significant inhibition of RORγT activity, with one compound exhibiting potent inverse agonist activity and favorable drug-like properties [2].

The collaboration between Simulations Plus and IMB PAS demonstrates the potential of AI in drug design, potentially leading to more efficient and effective therapeutic development. The successful outcomes from the DURIPANC study and the AI-driven drug design project highlight the innovative approaches being taken to address challenging medical needs.

References:
[1] https://www.stocktitan.net/news/AIM/aim-immuno-tech-reports-positive-mid-year-safety-and-efficacy-data-nbszbkp0gfmz.html
[2] https://www.businesswire.com/news/home/20250729166555/en/Simulations-Plus-and-the-Institute-of-Medical-Biology-of-the-Polish-Academy-of-Sciences-Partnership-Announces-Results-in-Validation-of-ADMET-Predictor-Models-with-Enhanced-AI-Drug-Design