Deep Learning and Drug Discovery for Healthy Aging

Wang, Peter; Ho, Dean

doi:10.1021/acscentsci.3c01212

Cited by 2 publications

(1 citation statement)

References 18 publications

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“…Through emerging methodologies of harnessing data to drive healthcare decision-making, the fields of precision and personalised medicine are being increasingly impacted by the fields of digital health and digital medicine. [ 12 13 14 15 16 17 18 19 20 21 22 23 24 25 ] Wearable devices are increasing our access to longitudinal data to drive digital biomarker development, and the rapid rise in actionable data is empowering new ways of driving clinical decision support. [ 26 27 28 29 30 ] Realising clinically actionable strategies to correlate this data, big or small, into optimal and personalised treatment guidance may profoundly impact the ability to sustainably deliver truly personalised N-of-1 medicine at the required scale for all stakeholders involved.…”

Section: Introductionmentioning

confidence: 99%

N-of-1 medicine

Wang,

Leong,

Lau

et al. 2024

Singapore Medical Journal

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The fields of precision and personalised medicine have led to promising advances in tailoring treatment to individual patients. Examples include genome/molecular alteration-guided drug selection, single-patient gene therapy design and synergy-based drug combination development, and these approaches can yield substantially diverse recommendations. Therefore, it is important to define each domain and delineate their commonalities and differences in an effort to develop novel clinical trial designs, streamline workflow development, rethink regulatory considerations, create value in healthcare and economics assessments, and other factors. These and other segments are essential to recognise the diversity within these domains to accelerate their respective workflows towards practice-changing healthcare. To emphasise these points, this article elaborates on the concept of digital health and digital medicine-enabled N-of-1 medicine, which individualises combination regimen and dosing using a patient’s own data. We will conclude with recommendations for consideration when developing novel workflows based on emerging digital-based platforms.

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Section: Introductionmentioning

confidence: 99%

N-of-1 medicine

Wang,

Leong,

Lau

et al. 2024

Singapore Medical Journal

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Exploring the Infectious Drug Target Glutathione S-Transferase in Plasmodium falciparum with the Inhibitory Potential of Azadirachta indica Phytocompounds

Al-Malki

2024

Advances in Public Health

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Background. Neem compounds are being studied for their potential as new and effective antimalarial drugs, and there is mounting evidence that they may help treat malaria. The PfGST enzyme is crucial to the malaria parasite’s survival, making it a desirable target for new antimalarial drugs, and the study aims to examine the bark region compounds as PfGST inhibitors. Methods. The structure of PfGST is examined for quality analysis, the active site is predicted based on a web server, and the bark region compounds are docked for their binding potential. Final molecules are identified for the absorption, distribution, metabolism, and excretion (ADME) analysis to confirm the possible future leads that target malaria. Results. This study reports that IMPHY000093, IMPHY001448, and IMPHY005310 can be potential inhibitors, showing strong binding potential in hydrogen bonds, scoring values, and ADME analysis. Results are confirmed by the possible re-docking poses by the docking method, and the binding score is used for the evaluations. Conclusion. Neem’s active ingredients have shown promise as a new class of antimalarial medications. Neem compounds may boost the efficacy of other antimalarial drugs and the host immune system by inhibiting GST, which is involved in the metabolism of the malaria parasite.

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Deep Learning and Drug Discovery for Healthy Aging

Cited by 2 publications

References 18 publications

N-of-1 medicine

N-of-1 medicine

Exploring the Infectious Drug Target Glutathione S-Transferase in Plasmodium falciparum with the Inhibitory Potential of Azadirachta indica Phytocompounds

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