Herein we have made a comprehensive analysis of inhibitory efficacy of 16 RNA virus drugs against RdRp, Mpro and PLpro proteins of SARS-CoV-2. Analysis of docked conformation revealed that Baloxavir marboxil (BMX) corresponds to the highest binding energy. Analysis of residue confirmed that BMX strongly interact with these three proteins involving H-bonding, ionic as well as hydrophobic interactions. Molecular dynamics simulation and analysis of parameters like RMSD, RMSF, binding energy confirmed noticeable conformational alternation with these proteins with makeable effect on RdRp. The potentially inhibitory action of BMX against these three proteins suggests the inhibition of overall transcription process of SARS-CoV-2. These observation along with the recently observed inhibitory action of BMX on influenza with clinically proven no side effects emphasizes to uncover the role of BMX by
in-vitro
and
in-vivo
analysis.
Objectives:To evaluate antibacterial potentiality, pharmacognostic characteristics and quality control parameters including heavy metals, like lead (Pb) and arsenic (As) accumulation in the aerial parts of an aquatic herb, Monochoria hastata (L.) Solms. Methods: Antibacterial assay was done by agar well diffusion method. Pharmacognostic studies like morpho-anatomical and physicochemical analyses were carried out for organoleptic, microscopic and macroscopic evaluations of living aerial parts, and powder microscopy, fluorescence, proximate and elemental analysis of the dried powder sample. Elements and heavy metals contents were determined by carbon, hydrogen, nitrogen, sulphur / oxygen (CHNS/O) analyzer and inductively coupled plasma mass spectrometry (ICP-MS), respectively. Results: M. hastata (L.) Solms aerial parts showed antibacterial activity against gastrointestinal and topical pathogens. It exhibited an amphistomatic and hydromorphic anatomical characters. The distinguishing features were the presence of stomata in upper and lower epidermis, broad air chambers, cuticle, collateral vascular bundles, sclereidal fibres, pitted tracheids, pitted vessels, calcium oxalate crystals and annular vessels in leaf. The powder sample contained very less amount of acid insoluble ash than water soluble ash and complete absence of foreign organic matter. Carbon, hydrogen, nitrogen and sulfur (CHNS) ratio was 33:6:5:1 and lead content was lesser than the recommended upper limit though the arsenic content was higher than the permissible upper limit. Conclusions: Though the plant has traditionally been used as a potent Ethnomedicinal herb to cure boils, gastritis, hepatopathy and as laxative, but no such evaluation of pharmacognostic identity and quality parameters have been done so far. This is the first report on its pharmacognostic characters and quality control issues like heavy metal accumulation and physicochemical parameters for future use as powder drug.
Background: Mandukaparni (Hydrocotyle javanica Thunb.) is a well known medicinal herb used as folklore medcine in many chronic and infectious gastric and other diseases by the people of Estern Himalayan regions. However, the therapeutic active principles of this plant remained unknown. Objective: The main objective of the study was to characterize antienterobacterial dichloromethane fraction of the volatile oils of it by GC-MS. Materials and Methods: In the present study, dichloromethane (DCM) fraction (MP-DCMf) of Mandukaparni was collected by phase separation of the methanol extract and tested for anti-enterobacterial potentiality against human pathogenic gastrointestinal and food poisoning bacteria by agar well diffusion assay, viability assay and LDH assay and SEM studies. Characterization of the active MP-DCMf fraction was performed by TLC and GC-MS analysis. Results: The MP-DCMf possessed bio-active compounds that have antibacterial potentiality against both the Grampositive and Gram-negative bacteria. The MIC and MBC values were in the range from 1.56 mg/ml to 0.78 mg/ml and 6.25 to 1.56 mg/ml, respectively. The time kill assay showed that at a dose of 3.12 mg/ml of MP-DCMf was lethal to the E. coli MTCC 723 at the 18 th hr of treatment. LDH release had moderate positive correlation with the activity index and time of treatment whereas strong negative correlation with CFU count. It caused highest cell disruption in S. mutans. The principal compounds were D-carvon (30.949%);1H-Isoindole-1,3(2H)-dione; 2-(2-chlorophenyl) (28.483%);Cyclohexanone; 2-methyl-5-(1-methylethen) trans (10.04%); D-Limnone (9.256%);2,6-Octadien-1-ol, 3,7-dimethyl-acetate (6.684%); p-Cresol (0.551%), and Thymol (0.118%). Pub-chem database search also supports that these compounds have very strong bactericidal activity by membrane damage as evidenced by LDH and SEM studies. Conclusions: MP-DCMf contains many potential antibacterial compounds that can be used to combat the gastrointestinal and food poising bacterial pathogens.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.