In silico study of the essential oil compounds of ginger and thyme on Coronavirus-2 receptors

Coronavirus-2 (SARS-Cov-2) is a virus that attacks the respiratory system and causes the Covid-19 pandemic. After the pandemic, prevention and appropriate therapy research continue to be carried out to anticipate the emergence of more dangerous viruses. In line with the culture of consuming herbs that has arisen due to the effects of the pandemic, in this study, an insilico screening was carried out for essential oil compounds produced by ginger and thyme herbs which have been widely consumed by the public. The aim of the research was to find the essential oil content that has the most potential as an antiviral against coronavirus-2. The research method was carried out in silico, including ligand preparation, receptor and method validation, and analysis of ligand-receptor binding interactions using the AutoDoc 4.2.6 program. As a comparison, a study was conducted on remdesivir and favipiravir, which have been used as antivirals. The three components that have the most potential based on the calculation of the free energy value, were determined by the ADMET parameters using the Admet lab 2.0 program. The results showed that the three components in the essential oil exhibited better interactions when compared to remdesivir and favipiravir at the 3-Cl protease and spike glycoprotein receptors. The results of the insilico study and ADMET prediction test showed that of the three most potent compounds, lamda-farnesen was the most potent and safe to us

CHARACTERIZATION OF PHARMACOKINETICS OF 2-((3-(CHLOROMETHYL)BENZOYL)OXY) BENZOIC ACID IN RATS BY USING HPLC-DAD METHOD

Objective: A new compound of salicylic acid derivative, namely 2-((3-(chloromethyl)benzoyl)oxy)benzoic acid (3CBB), was synthesized to find a compound exhibiting higher analgesic activity and smaller ulcer irritation than acetylsalicylic acid (ASA). Therefore, this study aimed to investigate the pharmacokinetics of this new compound in rats, following a single dose oral administration of 3CBB (45 mg/kg BW). Methods: Plasma samples of 9 healthy rats were collected before and up to 3 h after its oral administration, following an 18 h fasting period. Plasma concentrations of 3CBB were determined using a validated HPLC-DAD assay. Pharmacokinetic parameters were determined using the compartment model technique. All experiments were carried out in triplicate. Results: The pharmacokinetic parameters of 3CBB obtained were as follows: Tmax= 28.9±1.1 min, Cmax = 0.57±0.02 µg/ml, AUCtotal = 66.3±1.0 µg min/ml, Kel = 0.018±0.002 min-1, and T1/2el = 39.4±3.9 min. The long elimination half-life and low Cmax indicated that 3CBB was extensively distributed in the deep and very deep tissues. This confirmed the unique and special characteristics of a highly lipophilic compound like 3CBB (log P = 3.73). Conclusion: 3CBB demonstrated a slower onset of action and longer elimination time from the body compared to ASA. Thus this new compound is a potential candidate to be developed as a new drug

Amino Acids as the Potential Co-Former for Co-Crystal Development: A Review

Co-crystals are one of the most popular ways to modify the physicochemical properties of active pharmaceutical ingredients (API) without changing pharmacological activity through non-covalent interactions with one or more co-formers. A “green method” has recently prompted many researchers to develop solvent-free techniques or minimize solvents for arranging the eco-friendlier process of co-crystallization. Researchers have also been looking for less-risk co-formers that produce the desired API’s physicochemical properties. This review purposed to collect the report studies of amino acids as the safe co-former and explored their advantages. Structurally, amino acids are promising co-former candidates as they have functional groups that can form hydrogen bonds and increase stability through zwitterionic moieties, which support strong interactions. The co-crystals and deep eutectic solvent yielded from this natural compound have been proven to improve pharmaceutical performance. For example, l-glutamine could reduce the side effects of mesalamine through an acid-base stabilizing effect in the gastrointestinal fluid. In addition, some amino acids, especially l-proline, enhances API’s solubility and absorption in its natural deep eutectic solvent and co-crystals systems. Moreover, some ionic co-crystals of amino acids have also been designed to increase chiral resolution. Therefore, amino acids are safe potential co-formers, which are suitable for improving the physicochemical properties of API and prospective to be developed further in the dosage formula and solid-state syntheses

Development of standardized kaffir lime (Citrus hystrix) fruit peel extract as a gel for antioxidant and anti-acne

Topical acne treatment using antibiotics causes an increase in the resistance of acne-causing bacteria. Using natural ingredients is an effort to avoid resistance, such as kaffir lime fruit peel which contains antibacterial substances, namely alkaloids, flavonoids, and tannins. This study aims to determine the effect of increasing the concentration of condensed extract of kaffir lime fruit peel in gel dosage form on physical quality (pH value, viscosity, dispersion) and effectiveness as an antioxidant and anti-acne. The condensed extract was obtained by maceration with 95% ethanol and then standardization of specific and non-specific extracts was carried out. The dosage form chosen is hydrophilic gel. The concentrations of the condensed kaffir lime fruit peel extract used in the gel are F1 (10%), F2 (15%), and F3 (20%). The gel preparation was tested for physical quality and effectiveness, consisting of antioxidant activity (IC50) using the DPPH method and antibacterial activity against Cutibacterium acnes using the diffusion method. Experimental data between batches and between formulas were analyzed using the One-Way ANOVA statistical method. If there is a significant difference in statistical analysis between formulas, then the test is continued using the Tukey post-hoc test method. The experimental results showed that increasing the concentration of kaffir lime fruit peel extract (Citrus hystrix) caused a decrease in pH and viscosity values as well as an increase in the ability to spread the gel preparation. Increasing the extract concentration also causes an increase in the anti-acne effect with the largest inhibition zone (18.27 ± 0.306 mm), and effectiveness as an antioxidant with the smallest IC50 value (15.51 ± 0.15 mg/mL) in formula 3. It was concluded that the best antioxidant and anti-acne gel is the F3 formula with an extract concentration of 20%