Posted by admin on Jul 31, 2022 in |
Background: The current study used computational approaches to investigate the molecular, physicochemical and drug-like properties of some 4-(10-acetyl-10H-phenothiazines-3-yl)-1-phenylazetidin-2-one derivatives. Methods: The structures of the compounds were drawn using Chemdraw ultra12 and smiles were generated using ACD chem sketch software. The physicochemical and molecular properties were calculated using the OSIRIS data warrior, and Toxicity potential, pharmacokinetic profile and medicinal chemistry aspects were determined by Swiss ADME tools. The docking analysis was carried out by mCule for the antimicrobial and anti-inflammatory profiles. The compounds were targeted for beta-lactamase, peptidoglycan hydroxylase, Cyclo-oxygenase-1 and 2 inhibitions. Result: All the compounds exhibited moderate to good drug likeliness and pharmacokinetic potential. The molecules showed good bioactivity scores against enzyme receptors. The ADMET prediction showed PGP and CYP-inhibitory effects with the least toxic profile. The docking analysis showed good binding affinity toward beta-lactamase, peptidoglycan hydroxylase and cycloxygenase-1 enzymes. Conclusion: The compounds showed good drug likeliness properties along with good toxicity potential and pharmacokinetic profiles. From docking analysis, it was found that all the molecules had a good...
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Posted by admin on Jun 30, 2022 in |
Introduction: Skin and subcutaneous tissue adverse drug reactions (ADR) are among the most common types of Cutaneous Reaction. The incidence rate of Cutaneous ADR is 1-3% for admitted patients in developed countries, whereas, in developing countries, it is 2-5% for admitted patients. Aims & Objective: To analyze the patient demographics, characteristics of the reaction, type of reaction, seriousness of the reaction, classification of the drugs involved, action is taken and outcome of reactions, causality assessment, severity assessment, and preventability of cutaneous ADRs. Material and Methods: The ADR monitoring center reported all cutaneous adverse drug reactions between September 2017 to June 2020 (34 months). All reported ADRs were clinically verified by committee members and retrospectively analyzed using various parameters such as type of reaction, causality assessment, drug preventability, and severity. Results: Out of 990 ADRs reported during the study period, 232 (23.43%) were cutaneous ADRs concerning 204 patients, including indoor and outdoor patients. A maximum number (48.7%) of ADRs were reported in the adult age group between 20-44 years. The majority...
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Posted by admin on Jun 30, 2022 in |
This work aims to evaluate the antimicrobial potential of ethanol, methanol, and water extracts of cherry (Prunus avium) and acetone extracts of quince (Cydonia oblonga), hexane & ethyl acetate extracts of Handh (Taraxacum officinale), acetone & methanol extracts of sustchal (Malva neglecta) of the selected minor fruits and vegetables of Indian Himalayan Region. Agar well diffusion method has been used to determine the antimicrobial activities and minimum inhibitory concentrations (MIC) of different plant extracts against Gram-positive (Staphylococcus aureus), Gram-negative bacteria (Escherichia coli and Pseudomonas aeruginosa) and two strains of fungus (A. niger, A. flavus). The extracts exhibited both antibacterial and antifungal activities against tested microorganisms. The concentration increase of the extracts resulted in the increase of inhibition zone values resulting in the increase in the antimicrobial activities of the extracts. Both pulp and peel of Quince (Cydonia oblonga) exhibited significant antimicrobial activity. Acetone Quince (Cydonia oblonga) and Handh (Taraxacum officinale) extract showed significant antibacterial activity (P < 0.05) against all tested bacterial...
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Posted by admin on May 31, 2022 in |
Computational chemistry is a robust and economical tool for designing and developing potent therapeutic molecules. Benzimidazole and its analogues are compounds with a unique pharmacophore that derives its application as broad-spectrum antimicrobial agents. A quantitative structure-activity relationship (QSAR) study was performed using a data set of 28 benzimidazole analogues with antimicrobial activity. Descriptors were generated using various free software’s such as PaDEL-Descriptor, SwissADME and OCHEM (Online chemical modelling environment). The statistical analysis was performed using the Stats. Blue software by multiple linear regression (MLR) method for determining the relationship between dependant variable and various independent variables. The best QSAR model had an r2 value of 0.6773, and the predictive r2 value for external validation was 0.7150. The results show that a positive correlation is established between the descriptors, TPSA (Topological polar surface area), H-bond acceptors, iLOGP (Implicit LOGP), GGI4 (Galvez topological charge indices of order 4), thereby achieving the most accurate...
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Posted by admin on May 31, 2022 in |
Aegle marmelos, commonly known as Bael or Bilva, is a traditional tree belonging to the family Rutaceae with enormous value in ethnobotany, Ayurveda, and has been used since time immemorial for its spiritual significance as an offering to Lord Shiva while worshipping. Looking at its religious perspective and medicinal benefits, people have conserved trees of Bael in sacred groves. It is a sub-tropical tree and grows wildly in the dry, dry dipterocarp and mixed deciduous forests on the plains and hilly regions. Researchers have used and studied almost all the parts like root, bark, fruit, leaves, and seeds of this significant tree because of the varied phytoconstituents isolated from them, like alkaloids and terpenoids, amino acids, fatty acids, coumarins, etc. Substantial experiments were conducted on Aegle marmelos owing to many phytoconstituents found in it and they were found to exhibit potential therapeutic responses in many pharmacological activities like anti-diabetic, anti-hyperlipidemic, analgesic, antimicrobial, antipyretic, anti-inflammatory, radioprotective, anti-ulcer, anticancer, gastroprotective, antidiarrheal, etc., to name a few. Many pharmaceutical herbal industries have...
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