PMID- 30413989
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20200930
IS  - 1752-153X (Electronic)
IS  - 1752-153X (Linking)
VI  - 12
IP  - 1
DP  - 2018 Nov 9
TI  - Hybrid caffeic acid derivatives as monoamine oxidases inhibitors: synthesis, 
      radical scavenging activity, molecular docking studies and in silico ADMET 
      analysis.
PG  - 112
LID - 10.1186/s13065-018-0481-7 [doi]
LID - 112
AB  - BACKGROUND: Monoamine oxidase has been implicated in numerous neurological 
      disorders. Although synthetic monoamine oxidase inhibitors (MAOI) have emerged 
      with many side effects, the aspiration of natural based MAOI has greatly 
      increased. As they exhibit fewer side effects and food interaction along with 
      improved neuropharmacological profile. RESULTS: The in silico design of the 
      caffeic acid derivatives led potent MAO inhibitors with remarkable antioxidant 
      activity. The mechanistic insight of the compounds within the hMAO active site 
      was achieved by molecular docking which led us to be more confident of the 
      possible inhibition of MAO. CONCLUSIONS: The synthesized eugenol based ester of 
      caffeic acid compound 7 exhibited MAO-A inhibition with IC(50) values of 
      07.03 +/- 0.022 microM with good selectivity (SI = 0.291) towards MAO-A. Conversely, 
      two anilides compounds 2 and 1, bearing chloro and nitro group at 2, 4 positions 
      showed MAO-A inhibition with IC(50) values of 08.51 +/- 0.017 microM and 
      08.87 +/- 0.005 microM, respectively. Only one compound 5 was found as a significant 
      MAO-B inhibitor with the IC(50) value of 10.80 +/- 0.024 microM. Moreover, compounds 1, 
      2, 4 and 9 have profoundly appeared as potent antioxidants as evaluated in duel 
      assay by scavenging DPPH and H(2)O(2).
FAU - Dhiman, Priyanka
AU  - Dhiman P
AD  - Laboratory for Preservation Technology and Enzyme Inhibition Studies, Faculty of 
      Pharmaceutical Sciences, M. D. University, Rohtak, Haryana, 124001, India.
FAU - Malik, Neelam
AU  - Malik N
AD  - Laboratory for Preservation Technology and Enzyme Inhibition Studies, Faculty of 
      Pharmaceutical Sciences, M. D. University, Rohtak, Haryana, 124001, India.
FAU - Khatkar, Anurag
AU  - Khatkar A
AUID- ORCID: 0000-0002-0856-3620
AD  - Laboratory for Preservation Technology and Enzyme Inhibition Studies, Faculty of 
      Pharmaceutical Sciences, M. D. University, Rohtak, Haryana, 124001, India. 
      anuragpharmacy@gmail.com.
LA  - eng
PT  - Journal Article
DEP - 20181109
PL  - England
TA  - Chem Cent J
JT  - Chemistry Central journal
JID - 101314213
PMC - PMC6768041
OTO - NOTNLM
OT  - Caffeic acid derivatives
OT  - DPPH and H2O2 activity
OT  - In silico design
OT  - Monoamine oxidase
COIS- The authors declare that they have no competing interests.
EDAT- 2018/11/11 06:00
MHDA- 2018/11/11 06:01
PMCR- 2018/11/09
CRDT- 2018/11/11 06:00
PHST- 2018/09/14 00:00 [received]
PHST- 2018/11/01 00:00 [accepted]
PHST- 2018/11/11 06:00 [entrez]
PHST- 2018/11/11 06:00 [pubmed]
PHST- 2018/11/11 06:01 [medline]
PHST- 2018/11/09 00:00 [pmc-release]
AID - 10.1186/s13065-018-0481-7 [pii]
AID - 481 [pii]
AID - 10.1186/s13065-018-0481-7 [doi]
PST - epublish
SO  - Chem Cent J. 2018 Nov 9;12(1):112. doi: 10.1186/s13065-018-0481-7.