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g., naringenin) the most often identified additional metabolites. The most observed types were Justicia gendarussa Burm., Justicia procumbens L., Justicia adhatoda L., Justicia spicigera Schltdl, and Justicia pectoralis Jacq. The frontier molecular orbitals performed utilizing density useful theory (M062X and basis set 6-311++G(d,p) suggest reactive sites for naringenin element and a chemical effect on phytomedicine activity. The energy gap (206.99 kcal/mol) and dimer solid state