Unlocking the potential of drug-drug cocrystals – A comprehensive review

Banerjee, Madhulika; Nimkar, Kartik; Naik, Shivraj; Patravale, Vandana

doi:10.1016/j.jconrel.2022.06.003

Cited by 29 publications

(15 citation statements)

References 66 publications

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“…Recent research suggests that changes in polymer chain lengths may offer an efficient approach for generating cocrystal polymorphisms . What’s more, some biocompatible polymers may also be employed as additives to increase the bioavailability of cocrystals without separation, which is a new windfall for the pharmaceutical industry …”

Section: Strategies Of Mechanochemistrymentioning

confidence: 99%

Mechanochemical Synthesis of Cocrystal: From Mechanism to Application

Xiao

et al. 2023

Crystal Growth & Design

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Cocrystal engineering is gaining interest across various disciplines since it can effectively tune the properties of solid substances via noncovalent synthesis by introducing new components into the lattice. Mechanochemistry is without a doubt the most valuable tool for the research of cocrystals, which combines the pursuit of efficient and sustainable process pathways with the exploration of supramolecular synthons that cannot be discovered using solution methods. In this review, concerning the significance of the mechanochemical synthesis of cocrystals, we begin by outlining the strategies for mechanochemical preparation of cocrystals. We then elaborate on the theoretical mechanisms of the mechanochemically induced formation of cocrystals and their polymorphs. On this foundation, several cross-fields in which mechanochemistry enhances the application value of cocrystal engineering are shown to overcome existing limitations, which are difficult or impossible to access using conventional solution methods. More importantly, we demonstrate that the introduction of new methods, such as cultivating single crystals from melt microdroplets, and new techniques, such as microelectron diffraction (Micro-ED), has harmoniously united the fields of cocrystal engineering and mechanochemistry. Finally, a brief conclusion and outlook are presented, including current challenges and future opportunities for the cooperation of mechanochemistry and cocrystal engineering.

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Section: Strategies Of Mechanochemistrymentioning

confidence: 99%

Mechanochemical Synthesis of Cocrystal: From Mechanism to Application

Xiao

et al. 2023

Crystal Growth & Design

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“…Cocrystal preparation processes include solid-state grinding, solution-reaction crystallization, solvent evaporation, and slurry conversion, and have all been extensively reported to date. Numerous synthesis techniques have been utilized for the creation of pharmaceutical cocrystals [ 31 , 32 , 33 , 34 , 35 , 36 , 37 , 38 ]. In addition, pharmaceutical cocrystals are easier to produce than ECCs.…”

Section: New Energetic Cocrystalsmentioning

confidence: 99%

Recent Progress on Synthesis, Characterization, and Performance of Energetic Cocrystals: A Review

Sultan

Haq

et al. 2022

Molecules

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In the niche area of energetic materials, a balance between energy and safety is extremely important. To address this “energy–safety contradiction”, energetic cocrystals have been introduced. The investigation of the synthesis methods, characteristics, and efficacy of energetic cocrystals is of the utmost importance for optimizing their design and development. This review covers (i) various synthesis methods for energetic cocrystals; (ii) discusses their characteristics such as structural properties, detonation performance, sensitivity analysis, thermal properties, and morphology mapping, along with other properties such as oxygen balance, solubility, and fluorescence; and (iii) performance with respect to energy contents (detonation velocity and pressure) and sensitivity. This is followed by concluding remarks together with future perspectives.

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“…Pharmaceutical cocrystals mean cocrystals in which one component is an active pharmaceutical ingredient (API) and the others are called coformers. , Pharmaceutical cocrystals are emerging as a new strategy in drug development to improve the properties of APIs, such as solubility, dissolution rate, and hygroscopicity . Additionally, drug–drug cocrystals formed by two drugs can be expected to yield synergistic effects . For example, Novartis’ blockbuster anti-heart failure drug Entresto is a drug–drug cocrystal formed by sacubitril and valsartan …”

Section: Introductionmentioning

confidence: 99%

“…4 Additionally, drug−drug cocrystals formed by two drugs can be expected to yield synergistic effects. 5 For example, Novartis' blockbuster anti-heart failure drug Entresto is a drug−drug cocrystal formed by sacubitril and valsartan. 6 Despite the huge advantages of pharmaceutical cocrystals, selecting appropriate coformers is the first key issue faced by chemists.…”

Section: Introductionmentioning

confidence: 99%

Pharmaceutical Cocrystal Discovery via 3D-SMINBR: A New Network Recommendation Tool Augmented by 3D Molecular Conformations

Zheng

Zhu

et al. 2023

J. Chem. Inf. Model.

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Cocrystals have significant potential in various fields such as chemistry, material, and medicine. For instance, pharmaceutical cocrystals have the ability to address issues associated with physicochemical and biopharmaceutical properties. However, it can be challenging to find proper coformers to form cocrystals with drugs of interest. Herein, a new in silico tool called 3D substructure−molecular-interaction network-based recommendation (3D-SMINBR) has been developed to address this problem. This tool first integrated 3D molecular conformations with a weighted network-based recommendation model to prioritize potential coformers for target drugs. In cross-validation, the performance of 3D-SMINBR surpassed the 2D substructure-based predictive model SMINBR in our previous study. Additionally, the generalization capability of 3D-SMINBR was confirmed by testing on unseen cocrystal data. The practicality of this tool was further demonstrated by case studies on cocrystal screening of armillarisin A (Arm) and isoimperatorin (iIM). The obtained Arm−piperazine and iIM−salicylamide cocrystals present improved solubility and dissolution rate compared to their parent drugs. Overall, 3D-SMINBR augmented by 3D molecular conformations would be a useful network-based tool for cocrystal discovery. A free web server for 3D-SMINBR can be freely accessed at http:// lmmd.ecust.edu.cn/netcorecsys/.

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Unlocking the potential of drug-drug cocrystals – A comprehensive review

Cited by 29 publications

References 66 publications

Mechanochemical Synthesis of Cocrystal: From Mechanism to Application

Mechanochemical Synthesis of Cocrystal: From Mechanism to Application

Recent Progress on Synthesis, Characterization, and Performance of Energetic Cocrystals: A Review

Pharmaceutical Cocrystal Discovery via 3D-SMINBR: A New Network Recommendation Tool Augmented by 3D Molecular Conformations

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