We introduce a quantum-classical generative model for small-molecule design, specifically targeting KRAS inhibitors for cancer therapy. We apply the method to design, select and synthesize 15 proposed molecules that could notably engage with KRAS for cancer therapy, with two holding promise for future development as inhibitors. This work showcases the potential of quantum computing to generate experimentally validated hits that compare favorably against classical models.
View Article and Find Full Text PDFAnticancer Agents Med Chem
January 2025
In women globally, breast cancer ranks as the second most frequent cause of cancer-related deaths, making up about 25% of female cancer cases, which is pretty standard in affluent countries. Breast cancer is divided into subtypes based on aggressive, genetic and stage. The precise cause of the problem is still unknown.
View Article and Find Full Text PDFObjective: This study compares ambulatory glycemic profile and glycemic variability between pregnant women diagnosed with type 2 diabetes mellitus (T2DM) receiving pharmacotherapy and healthy pregnant women without diabetes and assesses their correlation with fetal outcome.
Method: This was a case-control study involving 60 pregnant women (40 with T2DM and 20 healthy controls) in the third trimester of pregnancy. A flash glucose monitor device was applied over the upper arm to obtain the ambulatory glucose profile.
Introduction: The diagnosis of choledochal cysts in the adult population is complicated by the expected physiologic dilation of the common bile duct after cholecystectomy. We aimed to compare patients who underwent choledochal cyst resection based on cholecystectomy status.
Methods: A retrospective analysis was conducted of patients who underwent choledochal cyst resection between 1/1/1998-12/31/2021.