PMID- 35105197
OWN - NLM
STAT- MEDLINE
DCOM- 20221101
LR  - 20221101
IS  - 1478-6427 (Electronic)
IS  - 1478-6419 (Linking)
VI  - 36
IP  - 21
DP  - 2022 Nov
TI  - Design, molecular docking study of synthesised N-heteroaryl substituted gallamide 
      derivatives and their antibacterial assessment.
PG  - 5575-5583
LID - 10.1080/14786419.2021.2022662 [doi]
AB  - A series of N-heteroaryl substituted Gallamide derivatives 3a-3g were synthesised 
      and the obtained structures were further confirmed by different spectral studies. 
      For in-vitro antibacterial activity, the synthesised compounds were evaluated 
      against three UTI (Urinary Tract Infection) bacterial strains including 
      Staphylococcus aureus, Escherichia coli, and Streptococcus pyogenes. Furthermore, 
      the designed compounds were docked with bacterial DNA gyrase and dihydropteroate 
      synthase. All the compounds had shown good inhibition against S. aureus whereas 
      compound 3e has produced significant inhibition at 28 and 26 mm against S.aureus 
      and E.coli, respectively. The MIC value of the conjugate 3e and 3d was 3.12 and 
      6.25 mug/mL against S. aureus andE.coli, respectively. Compound 
      3,4,5-trihydroxy-N-(4-(N-(5-methyl isoxazol-3-yl) sulfamoyl) phenyl)benzamide 3d 
      had shown the highest binding energy against both the targets along with good 
      antibacterial action.
FAU - Mahapatra, Monalisa
AU  - Mahapatra M
AD  - Department of Pharmaceutical Chemistry, School of Pharmaceutical Sciences, Siksha 
      'O' Anusandhan (Deemed to be University), Bhubaneswar, Odisha, India.
FAU - Paidesetty, Sudhir Kumar
AU  - Paidesetty SK
AD  - Department of Pharmaceutical Chemistry, School of Pharmaceutical Sciences, Siksha 
      'O' Anusandhan (Deemed to be University), Bhubaneswar, Odisha, India.
FAU - Bishoyi, Ajit Kumar
AU  - Bishoyi AK
AD  - Department of Pharmaceutical Chemistry, School of Pharmaceutical Sciences, Siksha 
      'O' Anusandhan (Deemed to be University), Bhubaneswar, Odisha, India.
AD  - Central Research Laboratory, Institute of Medical Sciences and SUM Hospital, 
      Siksha 'O' Anusandhan Deemed to be University, Bhubaneswar, Odisha, India.
FAU - Padhy, Rabindra Nath
AU  - Padhy RN
AD  - Central Research Laboratory, Institute of Medical Sciences and SUM Hospital, 
      Siksha 'O' Anusandhan Deemed to be University, Bhubaneswar, Odisha, India.
LA  - eng
PT  - Journal Article
DEP - 20220201
PL  - England
TA  - Nat Prod Res
JT  - Natural product research
JID - 101167924
RN  - 0 (Anti-Bacterial Agents)
SB  - IM
MH  - Molecular Docking Simulation
MH  - *Staphylococcus aureus
MH  - Microbial Sensitivity Tests
MH  - *Anti-Bacterial Agents/pharmacology/chemistry
MH  - Escherichia coli
MH  - Streptococcus pyogenes
MH  - Structure-Activity Relationship
OTO - NOTNLM
OT  - antibacterial
OT  - carboxamide
OT  - in-silico study
OT  - methyl gallate
EDAT- 2022/02/03 06:00
MHDA- 2022/11/02 06:00
CRDT- 2022/02/02 05:29
PHST- 2022/02/03 06:00 [pubmed]
PHST- 2022/11/02 06:00 [medline]
PHST- 2022/02/02 05:29 [entrez]
AID - 10.1080/14786419.2021.2022662 [doi]
PST - ppublish
SO  - Nat Prod Res. 2022 Nov;36(21):5575-5583. doi: 10.1080/14786419.2021.2022662. Epub 
      2022 Feb 1.