Interaction mechanism between hydroxychloroquine sulfate and collagen: Insights from multi-spectroscopy, molecular docking, and molecular dynamic simulation methods

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Affinity binding of COVID-19 drug candidates (chloroquine/ hydroxychloroquine) and serum albumin: Based on photochemistry and molecular docking

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Summary: Chloroquine and hydroxychloroquine show effectiveness in the early stage of SARS-CoV-2 treatment, but are no longer recommended due to side effects. The affinity behavior between these drugs and serum albumin was investigated through biochemistry and computer simulation. The results reveal that the drugs quench the intrinsic emission of serum albumin through hydrogen bonding and van der Waals forces, with weak binding constants suggesting differences in efficacy and side effects. Drug modifications can be guided by combining experimental and simulation results to develop CQ derivatives with fewer side effects for COVID-19 treatment.

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Bionic lipoprotein loaded with chloroquine-mediated blocking immune escape improves antitumor immunotherapy

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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (2023)

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Effect of hydroxychloroquine sulfate on the gelation behavior, water mobility and structure of gelatin

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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS (2022)

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Multi-spectroscopic, molecular docking and molecular dynamic simulation evaluation of hydroxychloroquine sulfate interaction with caseins and whey proteins

Hailin Wang et al.

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Collagen and its derivatives: From structure and properties to their applications in food industry

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Interaction mechanism between hydroxychloroquine sulfate and collagen: Insights from multi-spectroscopy, molecular docking, and molecular dynamic simulation methods

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