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Quantum-inspired computational drug design for phytopharmaceuticals: a herbal holography analysis

S Y, Naik P, B R D, Patil C, Goudanavar P

Journal of molecular modeling, 2025

3 citations

Abstract

CONTEXT: Modern medication discovery is undergoing a paradigm change at the junction of herbal pharmacology with computational modeling informed by quantum theory. Herbal compounds, which have often been considered as complex and poorly understood entities, have historically been investigated using linear screening approaches and reductionist bioactivity models. A novel paradigm being presented in this work is herbal holography. Herbal molecules are seen by it as multi-dimensional systems best understood using holographic and quantum theories. As the pharmacological potential of plant-based compounds is under expanding research, more intricate integrated approaches are needed to grasp their bioactivities, predict their pharmacokinetics, and maximize drug lead optimization. The aim is to ascertain whether using quantum-driven methods results in a real revolution in herbal medicine or if it is really a pipe dream.

METHODS: This paper conducts a thorough examination of herbal remedies, focusing on how algorithms powered by hybrid quantum-classical simulations, deep learning models, and quantum mechanics can address the shortcomings of traditional methods. The advanced computational approaches explored in this research provide scalable models for modeling herbal compounds and assessing their pharmacological effects. Integrating views from systems biology, photochemistry, and quantum mechanics helps one to evaluate the translational usefulness of these technologies. The…

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Evidence Hub reads this as a review, done in computer models (in silico), not in people. Its evidence level is 5 of 5 (Very low · case / narrative / animal / in vitro / in silico). Case reports, narrative reviews, and animal, cell or computer-model studies give the weakest evidence for human health.

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