Global society is encountering many challenges such as climate change, resource depletion, etc., which comes with a set of challenges and opportunities for businesses. Applied research in operational tools and methods that support sustainable product- and service systems innovation, aims to strengthen businesses to overcome these challenges. In recent years, several tools and methods have been developed in the sustainable product development field with focus on modelling and digitalization. This paper explores how sustainability has been integrated in modelling and simulation, and presents results from a literature review with the purpose of highlighting opportunities and challenges in the field. Furthermore, an initial model-based engineering support toolbox (MBE) is presented, with focus on support tools for socio-ecological sustainability integration in the early product development stages.