Computational pharmacology and chemistry of drug-like properties along with pharmacokinetic studies have made it more amenable to decide or predict a potential drug candidate. 4-Hydroxyisoleucine is a pharmacologically active natural product with prominent antidiabetic properties. In this study, ADMETLab 2.0 was used to determine its important drug-related properties. 4-Hydroxyisoleucine is compliant with important drug-like physicochemical properties and pharma giants’ drug-ability rules like Lipinski’s, Pfizer, and GlaxoSmithKline (GSK) rules. Pharmacokinetically, it has been predicted to have satisfactory cell permeability. Blood–brain barrier permeation may add central nervous system (CNS) effects, while a very slight probability of being CYP2C9 substrate exists. None of the well-known toxicities were predicted in silico, being congruent with wet lab results, except for a “very slight risk” for respiratory toxicity predicted. The molecule is non ecotoxic as analyzed with common indicators such as bioconcentration and LC50 for fathead minnow and daphnia magna. The toxicity parameters identified 4-hydroxyisoleucine as non-toxic to androgen receptors, PPAR-γ, mitochondrial membrane receptor, heat shock element, and p53. However, out of seven parameters, not even a single toxicophore was found. The density functional theory (DFT) study provided support to the findings obtained from drug-like property predictions. Hence, it is a very logical approach to proceed further with a detailed pharmacokinetics and drug development process for 4-hydroxyisoleucine.
The number of people over 60 years of age is increasing worldwide, representing a population of one billion in 2019, which is predicted to nearly double by 2050. In old age, people are more prone to the development of chronic disorders, mainly due to altered body responses to intracellular and extracellular stresses, where overactive oxidative stress and inflammatory processes initiate and stimulate degenerative processes in the body, resulting in metabolic diseases, loss of muscle strength, bone and joint disorders, neurodegenerative disorders, cardiovascular pathologies, and carcinogenesis. Moreover, treatment of patients of advanced age is more complex, due to the simultaneous involvement of multiple disease mechanisms, and the nonlinear association between disease risk factors and their disease endpoints. Most people in their old age are receiving treatment with two or more pharmacological drugs for the management of old age ailments, but on other hand, this increases the occurrence of adverse events in this population, attributed to their pharmacokinetic and pharmacodynamic alterations. One of the better approaches is primary prevention that may postpone the onset of morbidity with an improvement in general quality of life. The use of food supplements by old aged subjects is proportionally increasing for this purpose. This short commentary is focused on the basis of the use of foods for special medical purposes, and food supplements in the prevention of age‐related disorders.
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