TY - JOUR AU - Ezzat, Mohammed AU - Abd Razik, Basma PY - 2021/02/01 Y2 - 2024/03/29 TI - MOLECULAR MODELLING DESIGN AND OPIOID BINDING AFFINITY EVALUATION OF NEW 4-CHROMANONE DERIVATIVES JF - Journal of microbiology, biotechnology and food sciences JA - J microb biotech food sci VL - 10 IS - 4 SE - Biotechnology DO - 10.15414/jmbfs.2021.10.4.531-535 UR - https://office2.jmbfs.org/index.php/JMBFS/article/view/3338 SP - 531-535 AB - <p>The pharmacotherapy treatment of pain is an active and motivated area of investigation for treatment with free side effects. This paper presents the docking ability of twenty-five analogues of 4-Chromanone derivatives inside the crystal structure of μ opioid receptor to estimate the binding affinity of each derivative. Molecular modelling design approach applied to identify the effective substation position with generation of 989 novel 4-Chromanone derivatives. The final result of the most active twenty novel 4-Chromanone derivatives with docking affinity range (-9.89 to -9.34) kcal/mol were selected as promising hit ligand drugs comparing with morphine docking affinity at (-6.02) kcal/mol.</p> ER -