Design, synthesis, and in silico-in vitro antimalarial evaluation of 1,2,3-triazole-linked dihydropyrimidinone quinoline hybrids

Adigun, Rasheed Adewale; Balogun, Mohammed; October, Natasha

doi:10.1007/s11224-023-02142-y

Cited by 9 publications

(2 citation statements)

References 46 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The application of hybrid compounds was further proven effective in antimalarial scenarios. Other than DHFR inhibition properties, compounds such as quinoline hybrids were also synthesized and assessed in both in vitro and in silico experiments [29]. One potential drug target is the glutathione reductase enzyme (GRE).…”

Section: Other Potential Targets For Inhibition Of Resistant Malarial...mentioning

confidence: 99%

“…Dihydropyrimidinone-quinoline hybrids were synthesized and subjected to in vitro antimalarial sensitivity and inhibition activity assays utilizing K1 chloroquine (CQ)-resistant and NF54 CQ-sensitive strains [29]. Quinoline hybrids with amino functionalities show significant inhibition against P. falciparum strains.…”

Section: Other Potential Targets For Inhibition Of Resistant Malarial...mentioning

confidence: 99%

See 1 more Smart Citation

Roles of Virtual Screening and Molecular Dynamics Simulations in Discovering and Understanding Antimalarial Drugs

Duay,

Yap,

Gaitano

et al. 2023

IJMS

View full text Add to dashboard Cite

Malaria continues to be a global health threat, with approximately 247 million cases worldwide. Despite therapeutic interventions being available, patient compliance is a problem due to the length of treatment. Moreover, drug-resistant strains have emerged over the years, necessitating urgent identification of novel and more potent treatments. Given that traditional drug discovery often requires a great deal of time and resources, most drug discovery efforts now use computational methods. In silico techniques such as quantitative structure-activity relationship (QSAR), docking, and molecular dynamics (MD) can be used to study protein-ligand interactions and determine the potency and safety profile of a set of candidate compounds to help prioritize those tested using assays and animal models. This paper provides an overview of antimalarial drug discovery and the application of computational methods in identifying candidate inhibitors and elucidating their potential mechanisms of action. We conclude with the continued challenges and future perspectives in the field of antimalarial drug discovery.

show abstract

Section: Other Potential Targets For Inhibition Of Resistant Malarial...mentioning

confidence: 99%

Section: Other Potential Targets For Inhibition Of Resistant Malarial...mentioning

confidence: 99%

Roles of Virtual Screening and Molecular Dynamics Simulations in Discovering and Understanding Antimalarial Drugs

Duay,

Yap,

Gaitano

et al. 2023

IJMS

View full text Add to dashboard Cite

show abstract

Unlocking nitrogen compounds’ promise against malaria: A comprehensive review

Kuthe,

Muzaffar‐Ur‐Rehman,

Chandu

et al. 2024

Archiv der Pharmazie

View full text Add to dashboard Cite

Plasmodium parasites are the primary cause of malaria, leading to high mortality rates, which require clinical attention. Many of the medications used in the treatment have resulted in resistance over time. Artemisinin combination therapy (ACT) has shown significant results for the treatment. However, mutations in the parasite have resulted in resistance, leading to decreased efficiency of the medications that are currently being used. Therefore, there is a critical need to find novel scaffolds that are safe, effective, and of economic advantage. Literature has reported several potent molecules with diverse scaffolds designed, synthesized, and evaluated against different strains of Plasmodium. With this growing list of compounds, it is essential to collect the data in one place to gain a concise overview of the emerging scaffolds in recent years. For this purpose, nitrogen‐containing heterocycles such as β‐carboline, imidazole, quinazoline, quinoline, thiazole, and thiophene have been highly explored due to their wide biological applications. Besides these, another scaffold, benzodiazepine, which is majorly used as a central nervous system depressant, is emerging as an anti‐malarial agent. Hence, this review centers on the latest medication advancements designed to combat malaria, emphasizing special attention to 1,4‐benzodiazepines as a novel scaffold for antimalarial drug discovery.

show abstract

Exploring the Recent Pioneering Developments of Small Molecules in Antimalarial Drug Armamentarium: A Chemistry Prospective Appraisal

Bagratee,

Prawlall,

Ndlovu

et al. 2024

Chemistry & Biodiversity

View full text Add to dashboard Cite

Malaria is a very destructive and lethal parasitic disease that causes significant mortality worldwide, resulting in the loss of millions of lives annually. The uncontrolled intake of antimalarial drugs often employed in clinical settings has resulted in the emergence of numerous strains of plasmodium that are resistant to these drugs, including multidrug‐resistant strains. Hence, there is an urgent need for developing unique classes of antimalarial drugs that function with distinct mechanisms of action. In this context, the design and development of hybrid compounds that combine pharmacophoric properties from different lead molecules into a single unit gives a unique perspective towards further development of malaria drugs in the next generation. In light of this, we have reviewed the progress of hybrid antimalarial agents from 2021 up to the present. This manuscript presents a comprehensive overview of the latest advancements in the medicinal chemistry pertaining to small molecules, with a specific focus on their potential as antimalarial agents. This review explores a variety of physiologically active compounds that have been described in the literature in order to lay a strong foundation for the logical design and eventual identification of antimalarial drugs based on lead frameworks.

show abstract

Design, synthesis, and in silico-in vitro antimalarial evaluation of 1,2,3-triazole-linked dihydropyrimidinone quinoline hybrids

Cited by 9 publications

References 46 publications

Roles of Virtual Screening and Molecular Dynamics Simulations in Discovering and Understanding Antimalarial Drugs

Roles of Virtual Screening and Molecular Dynamics Simulations in Discovering and Understanding Antimalarial Drugs

Unlocking nitrogen compounds’ promise against malaria: A comprehensive review

Exploring the Recent Pioneering Developments of Small Molecules in Antimalarial Drug Armamentarium: A Chemistry Prospective Appraisal

Contact Info

Product

Resources

About