Design, synthesis, <i>in silico</i>, and <i>in vitro</i> evaluation of benzylbenzimidazolone derivatives as potential drugs on α-glucosidase and glucokinase as pharmacological targets

Santos-Ballardo, Cress Lumadhar; Montes‐Ávila, Julio; Rendón-Maldonado, José Guadalupe; Ramos-Payán, Rosalío; Montaño, Sarita; Sarmiento-Sánchez, Juan I.; Acosta-Cota, Selene de Jesús; Ochoa-Terán, Adrían; Bastidas-Bastidas, Pedro de Jesús; Osuna-Martínez, Ulises

doi:10.1039/d3ra02916f

RSC Adv.

2023

DOI: 10.1039/d3ra02916f

|View full text |Cite

Design, synthesis, in silico, and in vitro evaluation of benzylbenzimidazolone derivatives as potential drugs on α-glucosidase and glucokinase as pharmacological targets

Cress Lumadhar Santos-Ballardo

Julio Montes‐Ávila

José Guadalupe Rendón-Maldonado

et al.

Abstract: An in silico assay was designed, and generated compounds were studied to delimitate the synthesis by microwave irradiation–conventional heat combination. In vitro evaluation as antihyperglycemic and hypoglycemic agents were made, where 2s has good potential.

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2024

Publication Types

Select...

Article1

Relationship

Self Cite0

Independent1

Authors

Journals

Cited by 1 publication

References 33 publications

(9 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

Molecular design and virtual screening of novel heterocyclic derivatives as Glucokinase activators

Mehra,

Wadhwa,

Mittal

et al. 2024

Turkish Comp Theo Chem (TC&TC)

View full text Add to dashboard Cite

Background: Deficiency of insulin signaling in type 2 diabetes results from insulin resistance or defective insulin secretion and induce hyperglycemia. Diabetes is a global threat that continues to increase day by day at a very high rate in both developing and developed countries. Glucokinase activators (GKA) can be a novel target used for better management of type 2 diabetes. Recently novel GKA Dorzagliatin received market approval by Japan FDA for treatment of type 2 diabetes. Objective: The purpose of designing glucokinase activators was to develop novel therapeutic molecules with minimum side effects. Methods: A docking study was conducted using AutoDock Vina 1.5.6, and the structures were created using ChemBiodraw Ultra. The Swiss ADME algorithm was used for online log p prediction. Results: Among all the molecules designed, AM35 had the highest binding affinity to GK receptors. For good absorption and elimination, Log P values range from 2-3.08, indicating good lipophilic properties. Conclusion: The new lead molecules were designed as glucokinase activators, which had a better pharmacokinetic profile and higher binding affinity.

show abstract

Molecular design and virtual screening of novel heterocyclic derivatives as Glucokinase activators

Mehra,

Wadhwa,

Mittal

et al. 2024

Turkish Comp Theo Chem (TC&TC)

View full text Add to dashboard Cite

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

hi@scite.ai

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Design, synthesis, in silico, and in vitro evaluation of benzylbenzimidazolone derivatives as potential drugs on α-glucosidase and glucokinase as pharmacological targets

Abstract: An in silico assay was designed, and generated compounds were studied to delimitate the synthesis by microwave irradiation–conventional heat combination. In vitro evaluation as antihyperglycemic and hypoglycemic agents were made, where 2s has good potential.

Cited by 1 publication

References 33 publications

Molecular design and virtual screening of novel heterocyclic derivatives as Glucokinase activators

Molecular design and virtual screening of novel heterocyclic derivatives as Glucokinase activators

Contact Info

Product

Resources

About