Applications of Powder X-Ray Diffraction in Small Molecule Pharmaceuticals: Achievements and Aspirations

Thakral, Naveen K.; Zanon, Roger; Kelly, Ron C.; Thakral, Seema

doi:10.1016/j.xphs.2018.08.010

Cited by 60 publications

(37 citation statements)

References 116 publications

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“…During the preparation and review of this manuscript, another pharmaceutical review on powder diffraction was published (Thakral et al ., 2018). The authors of this review describe several of the advances in instrumentation mentioned in this report, in significant detail, with excellent cross references.…”

Section: Discussionmentioning

confidence: 99%

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A practical guide to pharmaceutical analyses using X-ray powder diffraction

et al. 2019

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Advances in instrumentation, software applications, and database content have all contributed to improvements in pharmaceutical analyses by powder diffraction methods in the 21stcentury. When compared to the globally harmonized United States Pharmacopeia General Chapter <941>, “Characterization of Crystalline and Partially Crystalline Solids by X-ray Powder Diffraction”, many historic problems in pharmaceutical analysis have been addressed by combinations of improved methods and instrumentation. Major changes in the last 20 years include (i) a dramatic lowering in detection capability and detection limits, (ii) enhanced capabilities for dynamic measurements such asin situanalyses under a variety of conditions, and (iii) the ability to identify and characterize nanomaterials, non-crystalline, and amorphous materials by both coherent and incoherent scattering profiles.

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Section: Discussionmentioning

confidence: 99%

“…A search through abstracts (http://www.dxcicdd.com/search_dxc/search_dxc.asp) of the Denver X-ray Conference from 2003 to 2017 will produce 72 presentations on new detector technologies and 92 on new sources. A general overview describing many of the instrumental developments has been recently published (Thakral et al, 2018).…”

Section: Introductionmentioning

confidence: 99%

A practical guide to pharmaceutical analyses using X-ray powder diffraction

et al. 2019

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“…X‐ray technologies are intensively used for various purposes such as the identification of crystal structures and estimation of drug particle size . Micro‐XRD (µ‐XRD) allows for the (chemical) fingerprinting of a small area (0.01 mm in diameter) in a sample .…”

Section: In‐drug Labeling To Combat Counterfeitingmentioning

confidence: 99%

Materials and Technologies to Combat Counterfeiting of Pharmaceuticals: Current and Future Problem Tackling

et al. 2020

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The globalization of drug trade leads to the expansion of pharmaceutical counterfeiting. The immense threat of low quality drugs to millions of patients is considered to be an under‐addressed global health challenge. Analytical authentication technologies are the most effective methods to identify active pharmaceutical ingredients and impurities. However, most of these analytical testing techniques are expensive and need skilled personnel. To combat counterfeiting of drugs, the package of an increasing number of drugs is being protected through advanced package labeling technologies. Though, package labeling is only effective if the drugs are not repackaged. Therefore “in‐drug labeling,” instead of “drug package labeling,” may become powerful tools to protect drugs. This review aims to overview how advanced micro‐ and nanomaterials might become interesting markers for the labeling of tablets and capsules. Clearly, how well such identifiers can be integrated into “solid drugs” without compromising drug safety and efficacy remains a challenge. Also, incorporation of tags has so far only been reported for the protection of solid drug dosage forms. No doubts that in‐drug labeling technologies for “liquid drugs,” like injectables which contain expensive peptides, monoclonal antibodies, vaccines, dermal fillers, could help to protect them from counterfeiting as well.

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“…Yet, the potential of X-ray crystallography was already evidenced as it allowed the unambiguous structure determination of penicillin [4]. X-ray diffraction, either on crystalline material or on amorphous powders, is still routinely used in the pharmaceutical industry for the characterization of drugs, drug polymorphism, and pseudopolymorphism [5,6]. The idea that the knowledge of a protein structure could help the design of specific ligands, which is now a widely accepted obviousness, appeared in 1976, a few years after the launch of the Protein Data Bank, in 1971 [7,8].…”

Section: Introductionmentioning

confidence: 99%

Protein X-ray Crystallography and Drug Discovery

2020

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With the advent of structural biology in the drug discovery process, medicinal chemists gained the opportunity to use detailed structural information in order to progress screening hits into leads or drug candidates. X-ray crystallography has proven to be an invaluable tool in this respect, as it is able to provide exquisitely comprehensive structural information about the interaction of a ligand with a pharmacological target. As fragment-based drug discovery emerged in the recent years, X-ray crystallography has also become a powerful screening technology, able to provide structural information on complexes involving low-molecular weight compounds, despite weak binding affinities. Given the low numbers of compounds needed in a fragment library, compared to the hundreds of thousand usually present in drug-like compound libraries, it now becomes feasible to screen a whole fragment library using X-ray crystallography, providing a wealth of structural details that will fuel the fragment to drug process. Here, we review theoretical and practical aspects as well as the pros and cons of using X-ray crystallography in the drug discovery process.

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Applications of Powder X-Ray Diffraction in Small Molecule Pharmaceuticals: Achievements and Aspirations

Cited by 60 publications

References 116 publications

A practical guide to pharmaceutical analyses using X-ray powder diffraction

A practical guide to pharmaceutical analyses using X-ray powder diffraction

Materials and Technologies to Combat Counterfeiting of Pharmaceuticals: Current and Future Problem Tackling

Protein X-ray Crystallography and Drug Discovery

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