PMID- 30262975
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20201001
IS  - 0973-2063 (Print)
IS  - 0973-2063 (Electronic)
IS  - 0973-2063 (Linking)
VI  - 14
IP  - 7
DP  - 2018
TI  - Molecular docking analysis of phytoconstituent from Momordica charantia with 
      Guanylate Cyclase catalytic domain.
PG  - 378-383
LID - 10.6026/97320630014378 [doi]
AB  - Soluble guanylate cyclase (sGC) is a type of lyase enzyme with profoundly 
      increasing importance in treatments of cardiovascular and neurodegenerative 
      disorders. Modulation of sGC activity demonstrated beneficial effects against 
      Parkinson's disease by reducing glutamate excitotoxicity. It is of interest to 
      evaluate the pharmacological activity of Momordica charantia phytoconstituent 
      (DGalacturonic acid) and ODQ with catalytic domain of sGC enzyme, using Autodock 
      version 4.2 programs. Docking results revealed the binding ability of ODQ at the 
      allosteric sites of sGC. D-galacturonic acid also shows binding interaction at 
      the same allosteric sites in the catalytic domain of sGC like ODQ. Results show 
      that both the ligands have efficient binding to THR 474 amino acid residue of 
      beta 1 subunit of the enzyme. The drug likeliness score further implies the 
      suitability of D-Galacturonic acid as a drug-like molecule. The binding property 
      of ODQ and D-Galacturonic acid with the catalytic domain help to inhibit sGC 
      activity having pharmacological effects. Moreover, ODQ interaction with heme site 
      of sGC is already known while its interaction with the catalytic domain is shown 
      in this report.
FAU - Ghanta, Mohankrishna
AU  - Ghanta M
AD  - Department of Pharmacology, Sri Ramachandra Medical College and Research 
      Institute- Deemed to be University, Chennai-600116, Tamil Nadu, India.
FAU - Panchanathan, Elango
AU  - Panchanathan E
AD  - Department of Pharmacology, Sri Ramachandra Medical College and Research 
      Institute- Deemed to be University, Chennai-600116, Tamil Nadu, India.
FAU - Lakkakula, Bhaskar Venkata Kameswara Subrahmanya
AU  - Lakkakula BVKS
AD  - Department of Molecular Genetics, Research Division, Sickle Cell Institute 
      Chhattisgarh, Raipur- 492001, Chhattisgarh, India.
FAU - Narayanaswamy, Anbumani
AU  - Narayanaswamy A
AD  - Department of Microbiology, Sri Ramachandra Medical College and Research 
      Institute- Deemed to be University, Chennai-600116, Tamil Nadu, India.
FAU - Abhinand, P A
AU  - Abhinand PA
AD  - Department of Bioinformatics, Sri Ramachandra Medical College and Research 
      Institute- Deemed to be University, Chennai-600116, Tamil Nadu, India.
FAU - Antony, Stalin
AU  - Antony S
AD  - Centre for Advanced Studies in Botany and Centre for Herbal Sciences, University 
      of Madras, Guindy Campus, Chennai-600 025, Tamil Nadu, India.
LA  - eng
PT  - Journal Article
DEP - 20180731
PL  - Singapore
TA  - Bioinformation
JT  - Bioinformation
JID - 101258255
PMC - PMC6143352
OTO - NOTNLM
OT  - In silico screening
OT  - ODQ
OT  - soluble Guanylate cyclase
EDAT- 2018/09/29 06:00
MHDA- 2018/09/29 06:01
PMCR- 2018/01/01
CRDT- 2018/09/29 06:00
PHST- 2018/07/07 00:00 [received]
PHST- 2018/07/11 00:00 [revised]
PHST- 2018/07/30 00:00 [accepted]
PHST- 2018/09/29 06:00 [entrez]
PHST- 2018/09/29 06:00 [pubmed]
PHST- 2018/09/29 06:01 [medline]
PHST- 2018/01/01 00:00 [pmc-release]
AID - 97320630014378 [pii]
AID - 10.6026/97320630014378 [doi]
PST - epublish
SO  - Bioinformation. 2018 Jul 31;14(7):378-383. doi: 10.6026/97320630014378. 
      eCollection 2018.