Currently, Mexico is facing an energy transition, therefore updated policy regulations pertaining to the sustainable use of biomass are needed. In particular, policy that favors the sustainable use of biomass to produce energy and bioproducts to privilege climate change mitigation is needed. This review describes the use of maguey (Agave spp.) and nopal (Opuntia spp.; also known as “cactus”) for biofuel production, especially in marginal areas. Emphasis is given on documented case studies discussing features of production and cultivation for both maguey and nopal, in addition to their potential for fuel production. Environmental and social sustainability issues in terms of waste value and new opportunities as bioenergy feedstocks and byproducts are also discussed. Although the paper does not deeply describe aspects of biomass transformation, such as bioprocess configurations, it gives characteristics of production in addition to cultivation. Agave and Opuntia species may represent a suitable feedstock for biofuels, bioproducts, bioenergy and biorefineries, especially in dry lands (semi-arid and dry sub-humid), deforested areas, agroforestry systems and agricultural semi-terraces known as metepantle in Mexico.