Pyridine Moiety: Recent Advances in Cancer Treatment

Sahu, Rakesh; Mishra, Rakhi; Kumar, Rajnish; majee, ana; Salahuddin,; Mazumder, Avijit; Kumar, Ajay

doi:10.36468/pharmaceutical-sciences.763

Cited by 10 publications

(10 citation statements)

References 109 publications

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“…Interestingly, four hit compounds, such as trametinib, DB08251, DB02849, DB04241 and DB12847, had pyridine as a common scaffold in their structures. Pyridine is an essential pharmacophore and an extraordinary heterocyclic system in the realm of anti-cancer drug development [51]. It is also noted that the hit compounds displayed acceptable ADME/T values during the QikProp analysis.…”

Section: Structural Properties Of Hit Compoundsmentioning

confidence: 98%

In Silico Screening of Available Drugs Targeting Non-Small Cell Lung Cancer Targets: A Drug Repurposing Approach

et al. 2021

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The RAS–RAF–MEK–ERK pathway plays a key role in malevolent cell progression in many tumors. The high structural complexity in the upstream kinases limits the treatment progress. Thus, MEK inhibition is a promising strategy since it is easy to inhibit and is a gatekeeper for the many malignant effects of its downstream effector. Even though MEK inhibitors are under investigation in many cancers, drug resistance continues to be the principal limiting factor to achieving cures in patients with cancer. Hence, we accomplished a high-throughput virtual screening to overcome this bottleneck by the discovery of dual-targeting therapy in cancer treatment. Here, a total of 11,808 DrugBank molecules were assessed through high-throughput virtual screening for their activity against MEK. Further, the Glide docking, MLSF and prime-MM/GBSA methods were implemented to extract the potential lead compounds from the database. Two compounds, DB012661 and DB07642, were outperformed in all the screening analyses. Further, the study results reveal that the lead compounds also have a significant binding capability with the co-target PIM1. Finally, the SIE-based free energy calculation reveals that the binding of compounds was majorly affected by the van der Waals interactions with MEK receptor. Overall, the in silico binding efficacy of these lead compounds against both MEK and PIM1 could be of significant therapeutic interest to overcome drug resistance in the near future.

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Section: Structural Properties Of Hit Compoundsmentioning

confidence: 98%

In Silico Screening of Available Drugs Targeting Non-Small Cell Lung Cancer Targets: A Drug Repurposing Approach

et al. 2021

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“…A number of pyridines have recently been registered for anticancer treatment [3]. The list predominantly includes kinase inhibitors (apalutamide, pexidartinib, lorlatinib, acalabrutinib, abemaciclib, neratinib, and alpelisib) -drugs that inhibit cellular kinases.…”

Section: Pyridine Derivatives Recently Approved For Anticancer Treatmentmentioning

confidence: 99%

Pyridine Heterocycles in the Therapy of Oncological Diseases

Todorov¹,

Kostova²

2023

Exploring Chemistry With Pyridine Derivatives

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Oncological diseases pose a major challenge for modern medicine. Heterocyclic compounds play a vital role in modern medical and pharmaceutical science as most medicinal substances incorporate them. Nitrogen-containing heterocycles serve as the basis of numerous drugs and, therefore, are deeply involved in the design and synthesis of promising new therapeutic agents. Pyridine or pyrimidine scaffolds, with a number of substituents attached, comprise a large portion of FDA-approved drugs. They are chemically stable in the human body, manifest an affinity for DNA via hydrogen bonding, and present an opportunity for the development of novel anticancer agents. A large number of pyridine-based molecules are synthesized and tested for anticancer activity each year. The present chapter aims to introduce the most current synthetic approaches, published in scientific literature, and would also elaborate on structure-activity relationships described therein.

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“…Pyridine moieties are present in many natural products, drugs, pesticides and industrial materials. Pyridine fragments are used in drugs due to their specific characteristics such as basicity, hydrogen bond forming ability, water solubility, and especially because of pyridine rings are bioisosteres of amines, amides, N-heterocyclic rings and benzene rings [1][2][3][4][5]. A special type of pyridine, the 4-pyridones, is also fairly well represented among drugs [5][6][7][8][9][10][11][12].…”

Section: Introductionmentioning

confidence: 99%

An isoxazole strategy for the synthesis of 4-oxo-1,4-dihydropyridine-3-carboxylates

Zanakhov¹,

Галенко²,

Новиков³

et al. 2022

Beilstein J. Org. Chem.

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A method has been developed for the preparation of 2-alkyl-6-aryl-, 2-aryl-6-aryl and 2,6-diaryl-5-aryl/hetaryl-substituted methyl 4-oxo-1,4-dihydropyridine-3-carboxylates by Mo(CO)6-mediated ring expansion of methyl 2-(isoxazol-5-yl)-3-oxopropanoates. The high reactivity of 4-oxo-1,4-dihydropyridine-3-carboxylates synthesized provide easy access to 2,4,6-triaryl-substituted and 1,2,5,6-tetrasubstituted nicotinates.

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Pyridine Moiety: Recent Advances in Cancer Treatment

Cited by 10 publications

References 109 publications

In Silico Screening of Available Drugs Targeting Non-Small Cell Lung Cancer Targets: A Drug Repurposing Approach

In Silico Screening of Available Drugs Targeting Non-Small Cell Lung Cancer Targets: A Drug Repurposing Approach

Pyridine Heterocycles in the Therapy of Oncological Diseases

An isoxazole strategy for the synthesis of 4-oxo-1,4-dihydropyridine-3-carboxylates

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