Molecular docking analysis of twenty two phytoconstituents from Hibiscus rosa-sinensis, against seven targets of obesity like pancreatic lipase, fat and obesity protein (FTO protein), cannabinoid receptor, hormones as ghrelin, leptin and protein as SCH1 and MCH1 is detailed in this data article. Chemical structures of phytoconstituents were downloaded from PubChem and protein structures were retrieved from RCSB protein databank. Docking was performed using FlexX software Lead IT version 2.3.2; Bio Solved IT. Visualization and analysis was done by Schrodinger maestro software. The docking score and interactions with important amino acids were analyzed and compared with marketed drug, orlistat. The findings suggest exploitation of best ligands experimentally to develop novel anti-obesity agent.

The need for this study arises from the growing importance of polyherbal formulations in herbal medicine, particularly due to their potential health benefits and synergistic effects. In this research, development and validation of an HPTLC method for simultaneous quantification of curcumin, gallic acid, and resveratrol in a polyherbal mixture are primary focus. Additionally, study assesses the Total Phenolic Content (TPC), Total Flavonoid Content (TFC) and antioxidant potential using the 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay. The results reveal that TPC is 212.1 mg gallic acid equivalent per gram of plant material, and the TFC is 133.06 mg rutin equivalent per gram of plant material. Notably, DPPH assay demonstrates mixture's robust antioxidant activity, with an IC50 value of 3.83 µg/ml. Furthermore, HPTLC method used a carefully optimized mobile phase, providing excellent resolution for gallic acid, resveratrol, and curcumin with corresponding Rf values of 0.18, 0.43, and 0.53. This method is highly linear over a concentration range of 200-1000 ng/band for all three compounds. Precision studies confirm method's reproducibility with low Relative Standard Deviation values below 2 %. Ultimately, this HPTLC method offers a simple, accurate, precise, and cost-effective solution for routine quality control analysis, shedding light on potential applications of the polyherbal mixture in various therapeutic contexts.

A sensitive high-performance thin-layer chromatography method was developed for simultaneous estimation of berberine, gallic acid and ursolic acid in a polyherbal blend and validated as per ICH guidelines. Polyherb-al blend was prepared using widely recommended herbal plants for platelet augmentation activity viz. Carica papaya, Berberis aristata, Ocimum Sanctum, and Tinospora Cordifolia. The optimized separation was ob-tained with TLC aluminum plates pre-coated with silica gel G60 F254 as a stationary phase and a solvent sys-tem containing Toluene : Ethyl acetate : Methanol : Formic acid (3:3:0.2:0.1 v/v/v/v). Berberine and gallic ac-id were found to demonstrate linearity in the range of 1μg/band – 6μg/band and ursolic acid in the range of 20 μg/band – 100 μg/band with the regression coefficient in acceptable limits. The method was also found to be specific and precise one. The accuracy of the developed method at 80 %, 100 % and 120 % levels was found to be within limits and % RSD was found to be less than 2. LOD and LOQ of all three standards were also determined. Blend was also quantified for the amount of berberine, gallic acid and ursolic acid presence and was found to be 37.8 μg, 46.1 μg and 108 μg per mg, respectively.

Covid-19, a SARS-CoV virus-based disease, was identified in Wuhan, China, in December 2019. Initially, it was considered just an infection of the respiratory system, but due to its transmittable nature, it was declared a pandemic. A variety of treatment options were implemented, including antivirals like remdesvir, favipiravir along with vitamins and antioxidants. Further investigations revealed that the Covid-19 infection results in thrombotic cardiovascular complications, which are the major concern for the increased mortality associated with this disease. This study investigates the in Silico design of hybrid molecules with antiviral and an-tithrombotic properties. A docking study was performed using Autodock Vina software, and binding energies of the designed compounds were determined for papain-like protease (PDB: 3E9S) and 3-chymotrypsin-like cysteine protease (PDB: 6LU7). The docked poses and amino acids interactions were verified using Biovia Discovery studio 4.5. The binding energies of all designed compounds were compared with the standards, Compound RL1 (2-(5-(3-carbamoyl-1H-1,2,4-triazol-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)-carbonyl)amino)(hydroxy)methyl)carbamoyl)phenyl acetate) and Compound FL2 (8-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochroman-6-yl(2-(6-flouro-3-oxo-3,4-dihydropyrazine-2-carboxamido)-1-hydroxy-3-phenylpropyl)carbamate) proved to be promising agents with strong binding interactions. Hybrid molecules that inhibit viral replication, possibly as transition state inhibitors, can be investigated further for use in the treatment of SARS-Co-V infection and its associated complications.

Simple, sensitive high performance thin layer chromatography method for the estimation of gallic acid and quercetin in in-house polyherbal blend has been developed and validated. Methanolic solution of herbal blend comprising of Emblica officinalis, Camellia sinensis and Garcinia cambogia was used for analysis. The sepa-ration was performed on TLC aluminum plates precoated with silica gel G60 F254 and toluene: ethyl ace-tate: formic acid (5:1.5:1 v/v/v) at 254 nm scanning wavelength. The system gave well resolved peaks for gal-lic acid and quercetin at Rf 0.14 and Rf 0.29 respectively. The method validated as per ICH Q2R1 guidelines which shows regression co-efficient 0.9939 for gallic acid and 0.9988 for quercetin in range of 2–6 μg/ml. Recovery of gallic acid and quercetin was found in range of 98–102 % which confirms the accuracy of meth-od. Precision study (interday & intraday) showed that the relative standard deviation is less than 2 %, show-ing method is well precise. Proposed validated HPTLC method is simple, precise, specific, robust and accu-rate, and could find application in routine quality-control analysis. The method was used for quantitative es-timation of gallic acid and quercetin in the polyherbal blend and was found as 1.648 % w/w and 3.165 % w/w respectively.