In vitro and in silico biological studies of novel thiazolo[3,2-a]pyrimidine-6-carboxylate derivatives

In the present study, we report the synthesis, characterization of new series of thiazolo[3,2- a ]pyrimidine-6-carboxylate derivatives 3a – f and 4a – f . The newly synthesized compounds were screened for in vitro antimicrobial and antiviral activities. The probable mode of action of these active co...

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Published inMedicinal chemistry research Vol. 23; no. 1; pp. 168 - 180
Main Authors Umesha, Kundapura, Sarojini, Balladka K., Darshan Raj, Chenna G., Bhanuprakash, V., Yogisharadhya, R., Raghavendra, R., Khan, Mahmud T. H.
Format Journal Article
LanguageEnglish
Published New York Springer US 2014
Springer Nature B.V
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Abstract In the present study, we report the synthesis, characterization of new series of thiazolo[3,2- a ]pyrimidine-6-carboxylate derivatives 3a – f and 4a – f . The newly synthesized compounds were screened for in vitro antimicrobial and antiviral activities. The probable mode of action of these active compounds was determined through in silico docking study by docking the receptor methionyl-tRNA synthetase and human inosine-5′-monophosphate dehydrogenase (IMPDH) for antibacterial and antiviral activities, respectively. Among the compounds, 4c exhibited excellent in vitro antimicrobial activity against all tested strains with binding and docking energies −35.6 and −12.4 kcal/mol, respectively. The antiviral studies were carried out for the selected compounds in which 4a exhibited 73.69 and 54.42 % of inhibition of buffalopox and camelpox viruses, respectively. Furthermore, compound 4a showed minimum docking and binding energy along with the maximum hydrogen/hydrophobic interaction with IMPDH. The study contributes towards identification and screening of potential antimicrobial and antiviral agent’s against the pathogens.
AbstractList In the present study, we report the synthesis, characterization of new series of thiazolo[3,2- a ]pyrimidine-6-carboxylate derivatives 3a – f and 4a – f . The newly synthesized compounds were screened for in vitro antimicrobial and antiviral activities. The probable mode of action of these active compounds was determined through in silico docking study by docking the receptor methionyl-tRNA synthetase and human inosine-5′-monophosphate dehydrogenase (IMPDH) for antibacterial and antiviral activities, respectively. Among the compounds, 4c exhibited excellent in vitro antimicrobial activity against all tested strains with binding and docking energies −35.6 and −12.4 kcal/mol, respectively. The antiviral studies were carried out for the selected compounds in which 4a exhibited 73.69 and 54.42 % of inhibition of buffalopox and camelpox viruses, respectively. Furthermore, compound 4a showed minimum docking and binding energy along with the maximum hydrogen/hydrophobic interaction with IMPDH. The study contributes towards identification and screening of potential antimicrobial and antiviral agent’s against the pathogens.
In the present study, we report the synthesis, characterization of new series of thiazolo[3,2-a]pyrimidine-6-carboxylate derivatives 3a–f and 4a–f. The newly synthesized compounds were screened for in vitro antimicrobial and antiviral activities. The probable mode of action of these active compounds was determined through in silico docking study by docking the receptor methionyl-tRNA synthetase and human inosine-5′-monophosphate dehydrogenase (IMPDH) for antibacterial and antiviral activities, respectively. Among the compounds, 4c exhibited excellent in vitro antimicrobial activity against all tested strains with binding and docking energies −35.6 and −12.4 kcal/mol, respectively. The antiviral studies were carried out for the selected compounds in which 4a exhibited 73.69 and 54.42 % of inhibition of buffalopox and camelpox viruses, respectively. Furthermore, compound 4a showed minimum docking and binding energy along with the maximum hydrogen/hydrophobic interaction with IMPDH. The study contributes towards identification and screening of potential antimicrobial and antiviral agent’s against the pathogens.
Author Sarojini, Balladka K.
Darshan Raj, Chenna G.
Khan, Mahmud T. H.
Umesha, Kundapura
Yogisharadhya, R.
Bhanuprakash, V.
Raghavendra, R.
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CitedBy_id crossref_primary_10_3390_pathogens9090676
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Keywords In vitro antimicrobial activity
In silico docking studies
Thiazolo[3,2
pyrimidine-6-carboxylate
In vitro antiviral activity
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Snippet In the present study, we report the synthesis, characterization of new series of thiazolo[3,2- a ]pyrimidine-6-carboxylate derivatives 3a – f and 4a – f . The...
In the present study, we report the synthesis, characterization of new series of thiazolo[3,2-a]pyrimidine-6-carboxylate derivatives 3a–f and 4a–f. The newly...
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StartPage 168
SubjectTerms Antimicrobial activity
Biochemistry
Biomedical and Life Sciences
Biomedicine
Cell Biology
Docking
Hydrophobicity
Original Research
Pharmacology/Toxicology
tRNA
Title In vitro and in silico biological studies of novel thiazolo[3,2-a]pyrimidine-6-carboxylate derivatives
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