title: Comparative Inhibition Study of Compounds Identified in the Methanolic Extract of Apamarga Kshara Against Trichomonas vaginalis Carbamate Kinase (TvCK): An Enzoinformatics Approach.
abstract: In the present study, we have identified ten compounds, namely dodecanol acid, myristic acid, neophytadiene, palmitic acid, heptadecanoic acid, linoleic acid, elaidic acid, 3-7-dimethyl acid, stearic acid and methyl eicos acid, of the methanolic extract of Apamarga Kshara by GC-MS analysis. Apamarga Kshara has been reported to be active against cervical erosion. Major causal organism for cervical erosion is Trichomonas vaginalis. However, there is a paucity of information about the mechanism of action and inhibitory effect of the biologically active natural compounds presented in A. Kshara against this organism (T. vaginalis). Therefore, present investigation was conducted to observe possible interactions of these compounds on T. vaginalis carbamate kinase using molecular docking software 'AutoDock 4.2.' Identification of the amino acid residues crucial for the interaction between T. vaginalis carbamate kinase and these natural compounds is of due scientific interest. The study will aid in efficacious and safe clinical use of the above-mentioned compounds.
authors: Department of Biosciences, Integral University, Lucknow, 226026, India.
authors: Sibhghatulla
authors: S
authors: Shaikh
authors: Department of Amraz e Niswan, Faculty of Unani Medicine, Jamia Hamdard, Hamdard Nagar, New Delhi, 110062, India.
authors: Hamida
authors: H
authors: Aaqil
authors: Department of Biosciences, Integral University, Lucknow, 226026, India.
authors: Syed Mohd Danish
authors: SM
authors: Rizvi
authors: KACST Technology Innovation Center for Personalized Medicine at King Abdulaziz University, Jeddah, Saudi Arabia. shazibiotech@gmail.com.|Department of Medical Laboratory Technology, Faculty of Applied Medical Sciences, King Abdulaziz University, Jeddah, Saudi Arabia. shazibiotech@gmail.com.
authors: Shazi
authors: S
authors: Shakil
authors: KACST Technology Innovation Center for Personalized Medicine at King Abdulaziz University, Jeddah, Saudi Arabia.|Department of Medical Laboratory Technology, Faculty of Applied Medical Sciences, King Abdulaziz University, Jeddah, Saudi Arabia.
authors: Adel M
authors: AM
authors: Abuzenadah
authors: St. Mary Polyclinic, Lucknow, India.
authors: Pragya
authors: P
authors: Gupta
authors: Department of Biosciences, Integral University, Lucknow, 226026, India.
authors: Soumya
authors: S
authors: Saxena
authors: Department of Biosciences, Integral University, Lucknow, 226026, India.
authors: Rohit Kr
authors: RK
authors: Tiwari
authors: Advanced Instrumentation Facility, University Science Instrumentation Centre, JNU, New Delhi, 110067, India.
authors: Ajai
authors: A
authors: Kumar
mesh_terms: D008401:Gas Chromatography-Mass Spectrometry; D000432:Methanol / Q000737:chemistry*; D017851:Phosphotransferases (Carboxyl Group Acceptor) / Q000037:antagonists & inhibitors*; D010936:Plant Extracts / Q000737:chemistry* / Q000494:pharmacology*; D010946:Plants, Medicinal / Q000737:chemistry*; D014246:Trichomonas vaginalis / Q000201:enzymology*
chemical_list: D010936:Plant Extracts; D017851:Phosphotransferases (Carboxyl Group Acceptor); C019288:carbamate kinase; D000432:Methanol
keywords: Apamarga Kshara; AutoDock 4.2; Cervical erosion; Trichomonas vaginalis carbamate kinase