This study investigates how Artificial Intelligence Capability (AIC) might drive Sustainable Performance (SP) in businesses. It concentrates on the pivotal roles of Green Human Resource Management (GHRM), Green Supply Chain Management (GSCM), and Green Innovative Work Behavior (GIWB) as mediate that guides the impact of AIC to the results of sustainability. Moreover, the paper will examine the role of Agile Leadership (AL) in enhancing the effect of AIC on GHRM, GSCM, and GIWB by highlighting its role as a key mediator in the AI-sustainability relationship. The research is an empirical study and convenience survey study and has a sample size of 455 representatives of the various types of companies in developing country. The research was carried out through the online survey. The data were analyzed through structural equation modeling (SEM). This study determined that GHRM and GSCM mediate the association between AIC and GIWB to a significant degree. Moreover, we have found that the connection between AIC and SP is rather mediated by GHRM, GSCM, and GIWB. Also, the findings indicated that AL has a significant moderating effect on the association between AIC to GHRM, GSCM, and GIWB. This study gives new insights into the interaction of AI potentials, green HRM, green SCM and green innovative behavior on long-term performance, in which GHRM, GSCM, and GIWB have significant mediating roles. It also demonstrates the way agile leadership manages such interactions, which develops our understanding of AI-based workplace sustainability.