PMID- 32671018
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20200928
IS  - 2296-2646 (Print)
IS  - 2296-2646 (Electronic)
IS  - 2296-2646 (Linking)
VI  - 8
DP  - 2020
TI  - Diterpenoids and Triterpenoids From Frankincense Are Excellent Anti-psoriatic 
      Agents: An in silico Approach.
PG  - 486
LID - 10.3389/fchem.2020.00486 [doi]
LID - 486
AB  - Psoriasis is a chronic autoimmune disease that affects 2-3% of the global 
      population and requires an effective treatment. Frankincense has been long known 
      for its potent anti-inflammatory activities. In this study, a structural 
      bioinformatics approach was used to evaluate the efficacy of individual active 
      components of frankincense, macrocyclic diterpenoid derivatives (1-27), and 
      boswellic acids (28-46) in the treatment of psoriasis. Initially, major druggable 
      targets of psoriasis were identified. Subsequently, structure-based screening was 
      employed by using three different docking algorithms and scoring functions (MOE, 
      AutoDock Vina, and MVD) for the target fishing of compounds against 18 possible 
      targets of psoriasis. Janus Kinase 1, 2, 3 (JAK 1/2/3), eNOS, iNOS, 
      interleukin-17 (IL-17), and Tumor necrosis factor-alpha (TNF-alpha) were identified as 
      the preferred molecular targets for these compounds. This computational analysis 
      reflects that frankincense diterpenoids and triterpenoids can serve as excellent 
      anti-psoriatic agents by targeting major cytokines (TNF-alpha, IL-17, IL-13, IL-23, 
      and IL-36gamma,) exacerbated in psoriasis, and inflammatory pathways particularly 
      JAK1/2/3, eNOS, iNOS, MAPK2, and IFNgamma. The results were compared with the 
      reported experimental findings which correlates well with our in-silico verdicts.
CI  - Copyright (c) 2020 Halim, Khan, Csuk, Al-Rawahi and Al-Harrasi.
FAU - Halim, Sobia Ahsan
AU  - Halim SA
AD  - Natural and Medical Sciences Research Center, University of Nizwa, Nizwa, Oman.
FAU - Khan, Ajmal
AU  - Khan A
AD  - Natural and Medical Sciences Research Center, University of Nizwa, Nizwa, Oman.
FAU - Csuk, Rene
AU  - Csuk R
AD  - Organic Chemistry, Martin-Luther University Halle-Wittenberg, Halle (Saale), 
      Germany.
FAU - Al-Rawahi, Ahmed
AU  - Al-Rawahi A
AD  - Natural and Medical Sciences Research Center, University of Nizwa, Nizwa, Oman.
FAU - Al-Harrasi, Ahmed
AU  - Al-Harrasi A
AD  - Natural and Medical Sciences Research Center, University of Nizwa, Nizwa, Oman.
LA  - eng
PT  - Journal Article
DEP - 20200625
PL  - Switzerland
TA  - Front Chem
JT  - Frontiers in chemistry
JID - 101627988
PMC - PMC7330179
OTO - NOTNLM
OT  - boswellic acids
OT  - diterpenoid
OT  - frankincense
OT  - in silico target fishing
OT  - molecular docking
OT  - psoriasis
EDAT- 2020/07/17 06:00
MHDA- 2020/07/17 06:01
PMCR- 2020/01/01
CRDT- 2020/07/17 06:00
PHST- 2020/02/25 00:00 [received]
PHST- 2020/05/11 00:00 [accepted]
PHST- 2020/07/17 06:00 [entrez]
PHST- 2020/07/17 06:00 [pubmed]
PHST- 2020/07/17 06:01 [medline]
PHST- 2020/01/01 00:00 [pmc-release]
AID - 10.3389/fchem.2020.00486 [doi]
PST - epublish
SO  - Front Chem. 2020 Jun 25;8:486. doi: 10.3389/fchem.2020.00486. eCollection 2020.