Biodiesel as a clean fuel is renewable, biocompatible and free of polycyclic aromatic hydrocarbons that could be deriving from animals, plants, fungal, algae and bacteria resources. Among these resources, oleaginous fungi due to the high capability to synthesize and accumulation of triacylglycerol are the best source for biodiesel producer. So, in order to providing approaches for increase biodiesel production based on biotechnology, molecular investigation in these organisms could be promising approach, which have been attentioned in this study. In this regard, a precise survey on the related molecular mechanisms led to reveal Malic enzymes as the effective and critical proteins in lipids production and accumulation in oleaginous fungi. Structural characterization of the genes, led to reveal that they are different in the length and GC content as well as they are continuous in the sequence context. Moreover, structural characterization of the enzymes led to determine their localization in the cells, present the functional domains with capability of post-translational modifications in all of them, which are including MAO1_MF, Malic_M and malic. Homologous sequences survey of the enzymes led to introducing fungal species with possible capability for lipid production. structural modeling of the selective malic and malic like enzymes led to provided suitable models in structure and quality in function with binding affinity to malate. In general, the results of this study, while introducing suitable fungal species for securance of biomass, led to reveal effective enzymes with special features that could be useful in tracing the capable strains or transgenesis modification.