Design and Synthesis, In Silico Analysis of Condensed Pyrimidine derivatives as Potent Antimicrobial Agents

Khedkar, SA; Js, Patil; Sabale, Prafulla

doi:10.52711/0974-360x.2022.00403

RJPT

2022

DOI: 10.52711/0974-360x.2022.00403

|View full text |Cite

Design and Synthesis, In Silico Analysis of Condensed Pyrimidine derivatives as Potent Antimicrobial Agents

SA Khedkar

Patil Js

Prafulla Sabale

Abstract: A series of 24 condensed pyrimidine derivatives was synthesized via multistep reactions using microwave radiation and have opted to explore the possible inhibition mechanism via virtual analysis by using V life MDS. The synthesized compounds were characterized by spectroscopic analysis. All the synthesized compounds were found to show good in-silico binding analysis which indicated their potential to explore as good antimicrobial agents. All the synthesized derivatives were screened in-vitro for their antibact… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2023

Publication Types

Select...

Article2

Relationship

Self Cite0

Independent2

Authors

Journals

Cited by 2 publications

References 24 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

Molecular Docking Studies of substituted 3-methyl-4-oxo-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile derivatives

M. R.,

2023

RJPT

View full text Add to dashboard Cite

A molecular docking study is advance technique of structure based drug discovery and help to develop more heterocyle with promising pharmacological activity. In the present study molecular docking analysis was carried out for the various pyrimidine fused heterocycle derivatives (6a-y and 7a-r)which are planned, using the C-Docker protocol. Roscovitine-complexed X-ray crystallographic enzyme (CDK2) substrate.The result of molecular docking studies showed that 6r, 6l and 6p compounds showed higher docking scores compared to those in the series. Compound 6rexhibited one H-bonding interaction between the nitrogen of Cyanide group of pyrimidine at 5th position with LYS89 (1.80 Å) and four Pi-Alkyl bond with LEU134, ILE10, VAL18 and ALA144 (4.47, 4.46, 5.29, 5.04 Å respectively) one carbon-hydrogen bond with LEU83 (2.73 Å), one Pi-Donor Hydrogen Bond interaction with GLU12 (3.18 Å) and one Pi-Anion interaction with Asp145 (4.00 Å).All synthesized derivatives (6a-y and 7a-r) will be confirmed by the TLC, IR, NMR and MASS spectroscopy. Molecular docking studies give idea regarding the interaction of synthesized compound with protein of interest. The series of 6a-y and 7a-r will be synthesized, confirmed and tested for the in-vitro anticancer activity using human cancer cell line using MTT assay.

show abstract

Molecular Docking Studies of substituted 3-methyl-4-oxo-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile derivatives

M. R.,

2023

RJPT

View full text Add to dashboard Cite

show abstract

In vivo and In vitro Model for Evaluation of Anti-microbial activity: A Review

Saema,

Wasim Ahmed,

Kumar Sharma

et al. 2023

AJPR

View full text Add to dashboard Cite

The rates of infectious diseases have significantly increased in recent years. So need for production, evaluation and standardization of new antimicrobial agents has also increased. The major problem of resistance towards antibacterial, antiviral, etc drugs is also posing a great threat to human beings as many bacteria, viruses and fungi have become resistant to commonly used drugs. However, microbes are also useful for us in our basic physiological functions, for example: digestion, so we also need to make sure the new molecules of antimicrobials do not cause harm to our natural microbial flora. In this review, we have tried to assemble some In-Vivo and In-vitro Model for evaluating Antimicrobial agents. Classifications of antibacterials, antivirals and antifungals have been displayed in an easy way. The use of herbal drugs is displayed in a tabular manner and finally the evaluation parameters have been discussed.

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 and Synthesis, In Silico Analysis of Condensed Pyrimidine derivatives as Potent Antimicrobial Agents

Cited by 2 publications

References 24 publications

Molecular Docking Studies of substituted 3-methyl-4-oxo-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile derivatives

Molecular Docking Studies of substituted 3-methyl-4-oxo-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile derivatives

In vivo and In vitro Model for Evaluation of Anti-microbial activity: A Review

Contact Info

Product

Resources

About