Department Of Pharmaceutical Sciences and Natural Products
Permanent URI for this communityhttps://kr.cup.edu.in/handle/32116/52
Browse
4 results
Search Results
Item Synthesis, biological evaluation and in-silico ADME studies of novel series of thiazolidin-2,4-dione derivatives as antimicrobial, antioxidant and anticancer agents(BioMed Central Ltd, 2022-09-15T00:00:00) Kumar, Harsh; Kumar, Davinder; Kumar, Pradeep; Thareja, Suresh; Marwaha, Minakshi Gupta; Navik, Umashanker; Marwaha, Rakesh KumarBackground: A novel series of thiazolidine-2,4-dione molecules was derived and their chemical structures were established using physiochemical parameters and spectral techniques (1H-NMR, IR, MS etc.). The synthesized molecule were then evaluated for their antioxidant, anticancer and antimicrobial potential. Results and discussion: Serial tube dilution method was employed to evaluate the antimicrobial potential against selected fungal and bacterial strains by taking fluconazole and cefadroxil as reference antifungal and antibacterial drugs respectively. 2,2-diphenyl-1-picrylhydrazyl (DPPH) free radical scavenging activity was used to assess the antioxidant potential of the synthesized analogues. Further, the anticancer potential of the selected molecules was assessed against DU-145 cancer cell lines using MTT assay. The drug-likeness was also evaluated by studying in-silico ADME parameters of the synthesized analogues. Conclusion: In antioxidant evaluation studies, the analogue H5 with IC50 = 14.85�?g/mL was found to be the most active molecule. The antimicrobial evaluation outcomes suggested that the molecules H5, H13, H15 and H18 possessed moderate to promising activity against the selected species of microbial strains having MIC range 7.3��M to 26.3��M. The results of anticancer evaluation revealed that all the screened derivatives possess mild anticancer potential. The in-silico ADME studies revealed that all the compounds were found to be drug-like. � 2022, The Author(s).Item Structural Diversity of D-Alanine: D-Alanine Ligase and Its Exploration in Development of Antibacterial Agents Against the Multi-Variant Bacterial Infections(John Wiley and Sons Inc, 2022-04-07T00:00:00) Mayank; Sidhu, Jagpreet Singh; Joshi, Gaurav; Sindhu, Jayant; Kaur, Navneet; Singh, NarinderD-alanine: D-alanine ligase (Rv2981c or Ddl) (EC 6.3.2.4) is a bacterial protein that performs critical functions for the proper growth and development of bacterial cells. Understanding the activity profile of Ddl within the various strains of the bacteria seems vital in broad-spectrum antimicrobial drug discovery. Therefore, to understand this heterologous nature, we focused on understanding the functional impact of the structural differences in the Ddl protein from Legionella pneumophila and E. coli bacteria. The structural features and dynamic behavior of Ddl, the interaction pattern, and the docking score of the Ddl-ATP/ADP are also found significantly different from each other. In-depth analysis viz molecular dynamics simulation and residue interaction network (RIN) studies provided us the detailed insight into the differences in the Ddl proteins from both the bacteria. In conclusion, understanding the inter-specific differences in the antibiotic targets Ddl in the case of diverse bacterial strains is vital for rationalizing the treatment of these infectious diseases. Therefore, the current work attempts to foresee the development of more efficacious antibacterial agents devoid of emerging resistance to bacterium strains. � 2022 Wiley-VCH GmbH.Item Recent advancements in mechanistic studies and structure activity relationship of FoF1 ATP synthase inhibitor as antimicrobial agent(Elsevier Masson SAS, 2019) Narang R.; Kumar R.; Kalra S.; Nayak S.K.; Khatik G.L.; Kumar G.N.; Sudhakar K.; Singh S.K.The emergence of drug resistance in infectious microbial strains can be overcome by development of novel drug molecules against unexploited microbial target. The success of Bedaquiline in recent years, as FoF1 ATP synthase inhibitor against XDR and MDR mycobacterium strains, has resulted in further exploration to identify more potent and safe drug molecules against resistant strains. FoF1 ATP synthase is the main energy production enzyme in almost all eukaryotes and prokaryotes. Development of bacterial ATP synthase inhibitors is a safe approach, without causing harm to mammalian cells due to structural difference between bacterial and mammalian ATP synthase target sites. This review emphasizes on providing the structural insights for FoF1 ATP synthase of different prokaryotes and will help in the design of new potent antimicrobial agents with better efficacy. Further, applications of synthetic and natural active antimicrobial ATP synthase inhibitors, reported by different research groups are summarized. Their SAR and mode of actions are also analysed. � 2019 Elsevier Masson SASItem Antimicrobial and repellent activity of the essential oils of two lamiaceae cultivated in Western Himalaya(Bentham Science Publishers B.V., 2015) Stappen, Iris; Ali, Abbas; Tabanca, Nurhayat; Khan,Ikhlas A.; Wanner, J�rgen; Gochev, Velizar K.; Singh, Virendra; Lal, Brij; Jaitak, Vikas; Kaul, Vijay K.; Schmidt, Erich; Jirovetz, Leopold; Stappen, I.; Ali, A.; Tabanca, N.; Khan, I.A.; Wanner, J.; Gochev, V.K.; Singh, V.; Lal, B.; Jaitak, V.; Kaulh, V.K.; Schmidt, E.; Jirovetz, L.The essential oils of two Lamiaceae cultivated in Western Himalaya were examined on their antimicrobial, biting deterrent as well as larvicidal activity. Additionally their odors are described and their chemical compositions analyzed by GC-MS are given. The main component of Nepeta cataria oil was 4a?,7?,7a?-nepetalactone (85%), whereas camphor (27%) and 1,8-cineol (27%) were dominant in the oil of Rosmarinus officinalis. The studied essential oils demonstrated high to moderately antimicrobial activity against reference strains, clinical and food spoilage isolates of Bacillus cereus, Staphylococcus aureus, Escherichia coli, Salmonella abony and Candida albicans (MIC 160-640 ?g/ml) and indicated low activity against Pseudomonas aeruginosa and P. fluorescens. Both oils showed biting deterrent activity above solvent control but lower than DEET. Nepeta catarica essential oil exhibited high toxicity with LD50 value of 20.2 whereas R. officinalis oil showed only 50% mortality at the highest tested dose of 125 ppm against 1-day old Aedes aegypti larvae at 24-hour post treatment. ? 2015 Bentham Science Publishers.