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Lead compounds can be optimized through principles such as bioisosterism, prodrugs, quantitative structure-activity relationships (QSAR), and 3D-QSAR, followed by in silico ADMET (Absorption, Distribution, Metabolism, Excretion, Toxicity) prediction and physiologically-based pharmacokinetic simulations for preclinical testing

This further strengthens back the impact of fungal endophytes on the development and growth of plants activated by the release of phytohormones and bioactive chemicals, or inadvertently by optimizing the expressions of host genes and physiological responses, which eventually modulates water uptake, conduction, and conservation, and activates cellular tolerance to stress (Saddique et al., 2018

doi: 10.3390/nano11081960 39 Castellanos-ArvaloA

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Shindell et al., 2020) (Executive Summary Fig