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Improving the effectiveness of route planning, especially in road transport deliveries is a challenge we need to face in the context of advancing climate change and the sustainable development goals. The main aim of the paper is to demonstrate the above average and utilitarian significance of the multiple probabilistic traveling salesman problem (MPTSP) in the coordination and modeling of sustainable product transportation, which is a novelty at the theoretical, conceptual, methodological and empirical level. We propose a new, hybrid algorithm of solving MPTSP instances (it connects harmony search, k-means and 2-opt), which can be successfully used in economic practice for coordination and modeling of Industry 4.0. The effectiveness of proposed approach is tested using a case study of drugs distribution services and datasets obtained from the transportation enterprise located in Poland. The study focuses on the issue of planning routes, with particular emphasis on the changing demand of customers. It should be stressed that this work may be of interest to researchers but also to management practitioners. The value added of this research lies in the innovative modeling the coordination of sustainable drug transportation as an instance of MPTSP and proposing an effective method to solve it. The main research results confirm that proposed method contributes to overall sustainability of studied supply chain.