Gastrointestinal impairment induced sleep, behavioral and psychiatric disorders were reported in patients of autism spectrum disorders (ASDs). These may be life-long neuro-developmental disorders. Standardized diagnostic criteria for ASDs include: restricted and repetitive behavior, ongoing deficiencies in social interaction and communication. Proantioxidant and anti-inflammatory effects of dietry polyphenols/poly-phenol-rich derivatives as bioactive compounds enhanced permeability of blood brain barrier, consequently leads to delay in the onset of ASDs symptoms and can be effectively used in the management of ASDs. During the research on ASDs numerous therapeutic modalities, such as chemical and plant-based therapies, have been investigated. Due to their possible neuro-psychopharmacological benefits, plant-based treatments have attracted interest. These natural source therapies have demonstrated potential in reducing ASDs-related symptoms. Plant-based psycho-pharmaceuticals have been thoroughly investigated, and the investigations have confirmed their therapeutic effects. The therapeutic qualities of plants not only address the complex neurological aspects of ASDs but also provide a comprehensive approach to treatment. These substances may restore neurochemical equilibrium by focusing on particular biochemical pathways associated with the illness. Advancements in pharmacology and neurochemistry have enabled targeted interventions through chemical approaches. The treatment of ASDs approached through a combination of plant-based solutions and chemical methods can be better than one alone. By targeting the restorative properties of both natural compounds and synthesized chemicals, researchers aim to address the diverse range of symptoms and underlying neurobiological abnormalities associated with ASDs. Further clinical studies are required to validate the potential of bioactive molecules scientifically.