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Calculations reveal that 12 Sri Lankan plants possess compounds that could be considered as starting points of leads for AD, PD and prion disease. However, no compound was potentially useful for the HD category, according to the study. Potential of mean force of Al3+ binding to (-)-5-methylmellin found in Semecarpus walkeri with two representative configurations.Optimization in medicinal chemistry often involves designing replacements for a section of a molecule which aim to retain potency while improving other properties of the compoun