Synthetic Approaches to the New Drugs Approved during 2019

Flick, Andrew C.; Leverett, Carolyn A.; Ding, Hong X.; McInturff, Emma; Fink, Sarah; Mahapatra, Subham; Carney, Daniel W.; Lindsey, Erick A.; DeForest, Jacob C.; Berritt, Simon; Bigi-Botterill, Simone V; Gibson, Tony; Liu, Yiyang; O’Donnell, Christopher J

doi:10.1021/acs.jmedchem.1c00208

Cited by 37 publications

(37 citation statements)

References 201 publications

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“…21 For this purpose, a successful method is likely to be mild (preferably working at room temperature) and tolerates the use of different nucleophilic partners, with a special importance being possibly given to the use of carboxylic acids and amines (including aza-arenes), which are readily found in proteins and synthetic drugs. 22…”

Section: Introductionmentioning

confidence: 99%

A visible light-mediated three-component strategy based on the ring-opening of cyclic ethers with aryldiazoacetates and nucleophiles

et al. 2022

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Section: Introductionmentioning

confidence: 99%

A visible light-mediated three-component strategy based on the ring-opening of cyclic ethers with aryldiazoacetates and nucleophiles

et al. 2022

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“…Careful arrangement of structural features about a molecule necessitated efficient and practical approaches to model these privileged structures. We have also used similar computational tools to study the 21 molecular new chemical entities (NCEs) approved for the first time by a governing body anywhere in the world during 2019 [22]. Out of 11 therapeutic areas, 10 therapeutic areas as anti-infective/antibiotic, cardiovascular and hematologic, neurological (central nervous system (CNS)), dermatologic, inflammation and immunologic, metabolic, musculoskeletal, oncologic, reproductive, and respiratory drugs were selected.…”

Section: Methodsmentioning

confidence: 99%

Transformation of Drug Discovery towards Artificial Intelligence: An in Silico Approach

Srivastava¹

2022

Density Functional Theory - Recent Advances, New Perspectives and Applications

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Computational methods play a key role in the design of therapeutically important molecules for modern drug development. With these “in silico” approaches, machines are learning and offering solutions to some of the most complex drug related problems and has well positioned them as a next frontier for potential breakthrough in drug discovery. Machine learning (ML) methods are used to predict compounds with pharmacological activity, specific pharmacodynamic and ADMET (absorption, distribution, metabolism, excretion and toxicity) properties to evaluate the drugs and their various applications. Modern artificial intelligence (AI) has the capacity to significantly enhance the role of computational methodology in drug discovery. Use of AI in drug discovery and development, drug repurposing, improving pharmaceutical productivity, and clinical trials will certainly reduce the human workload as well as achieving targets in a short period of time. This chapter elaborates the crosstalk between the machine learning techniques, computational tools and the future of AI in the pharmaceutical industry.

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“…The synthesis of fedratinib could be achieved by the reaction of the intermediates 58 and 61 [ 104 ]. Firstly, compound 58 was obtained from the reaction of p -nitrophenol 55 and 1-(2-chloroethyl)pyrrolidine 56 in the presence of CsCO 3 according to the previous report [ 105 ].…”

Section: Introductionmentioning

confidence: 99%

“…On the other hand, compound 61 was obtained in 98% yield from the Pd-catalyzed coupling of 59 and 60 [ 104 , 106 , 107 ]. Compound 61 could also be prepared in 79% yield from the reaction of 62 with 63 in methanol.…”

Section: Introductionmentioning

confidence: 99%

A Comprehensive Overview of Globally Approved JAK Inhibitors

et al. 2022

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Janus kinase (JAK) is a family of cytoplasmic non-receptor tyrosine kinases that includes four members, namely JAK1, JAK2, JAK3, and TYK2. The JAKs transduce cytokine signaling through the JAK-STAT pathway, which regulates the transcription of several genes involved in inflammatory, immune, and cancer conditions. Targeting the JAK family kinases with small-molecule inhibitors has proved to be effective in the treatment of different types of diseases. In the current review, eleven of the JAK inhibitors that received approval for clinical use have been discussed. These drugs are abrocitinib, baricitinib, delgocitinib, fedratinib, filgotinib, oclacitinib, pacritinib, peficitinib, ruxolitinib, tofacitinib, and upadacitinib. The aim of the current review was to provide an integrated overview of the chemical and pharmacological data of the globally approved JAK inhibitors. The synthetic routes of the eleven drugs were described. In addition, their inhibitory activities against different kinases and their pharmacological uses have also been explained. Moreover, their crystal structures with different kinases were summarized, with a primary focus on their binding modes and interactions. The proposed metabolic pathways and metabolites of these drugs were also illustrated. To sum up, the data in the current review could help in the design of new JAK inhibitors with potential therapeutic benefits in inflammatory and autoimmune diseases.

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Synthetic Approaches to the New Drugs Approved during 2019

Cited by 37 publications

References 201 publications

A visible light-mediated three-component strategy based on the ring-opening of cyclic ethers with aryldiazoacetates and nucleophiles

A visible light-mediated three-component strategy based on the ring-opening of cyclic ethers with aryldiazoacetates and nucleophiles

Transformation of Drug Discovery towards Artificial Intelligence: An in Silico Approach

A Comprehensive Overview of Globally Approved JAK Inhibitors

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