Basharat Ahmad Bhat1, Wajahat Rashid Mir2, Bashir Ahmad Sheikh3, Muzafar Ahmad Rather4, Tanver Ul Hassan Dar5, Manzoor Ahmad Mir6. 1. Department of Bioresources, School of Biological Sciences, University of Kashmir, Srinagar, 190006, India. Electronic address: basharatbhat42@gmail.com. 2. Department of Bioresources, School of Biological Sciences, University of Kashmir, Srinagar, 190006, India. Electronic address: wajahatmir89@gmail.com. 3. Department of Bioresources, School of Biological Sciences, University of Kashmir, Srinagar, 190006, India. Electronic address: sheikhbashir198@gmail.com. 4. Plant Biotechnology and Molecular Biology Lab, CSIR-Indian Institute of Integrative Medicine, Srinagar, 190005, India. Electronic address: muzafarbiochem.jh@gmail.com. 5. Department of Biotechnology, School of Biosciences and Biotechnology, BGSB University, Rajouri, India. Electronic address: tanvirulhasan@gmail.com. 6. Department of Bioresources, School of Biological Sciences, University of Kashmir, Srinagar, 190006, India. Electronic address: drmanzoor@kashmiruniversity.ac.in.
Abstract
ETHNOPHARMACOLOGICAL RELEVANCE: Microorganisms are developing resistance to synthetic drugs. As a result, the search for novel antimicrobial compounds has become an urgent need. Medicinal plants are commonly used as traditional medicine and Delphinium is one of the prominent genus used in the treatment of several diseases. AIM OF THE STUDY: The present study aimed to determine the in vitro and in silico antimicrobial activities of petroleum ether, ethyl acetate and methanol extracts from the leaf samples of plant (Delphinium cashmerianum L.) against various bacterial and fungal strains. MATERIAL AND METHODS: Three extracts of Delphinium cashmerianum prepared and 88 bioactive compounds were analyzed through LC-MS data with the vast majority of them having therapeutic applications. These extracts have been screened for the antimicrobial activity against various bacterial (Escherichia coli, Micrococcus luteus, Klebsiella pneumoniae, Streptococcus pneumonia, Haemophilus influenzae, Neisseria mucosa) and fungal (Candida albicans, Candida glabrata, Candida paropsilosis) species through in silico molecular docking approach using autodock vina software, molecular dynamic simulation (MDS), in vitro disc diffusion and broth microdilution method for minimum inhibitory concentration (MIC) evaluation. RESULTS: Our results demonstrated that all three extracts were active against the whole set of microorganisms. The ethyl acetate extract was the most active against S.pneumonia, K. pneumoniae and C. albicans with a minimum inhibitory concentration (MIC) value of 6.25, 25 and 50 μg/ml, respectively. The petroleum ether and methanol extracts were active against S.pneumonia and N.mucosa with MIC values of 25 and 50 μg/ml. Furthermore, we also performed the in silico virtual screening of all these compounds obtained from LC-MS data analysis against various known drug targets of bacterium and fungi. Upon analysis, we obtained 5 compounds that were efficiently binding to the drug targets. However, after performing exhaustive molecular docking and molecular dynamic simulation (MDS) analysis, it was observed that Daidzein compound is bound to drug targets more efficiently. CONCLUSION: The results showed that these plant extracts exhibit antimicrobial activity and ethyl acetate extract proved to exhibit the most effective antibacterial and antifungal properties.
ETHNOPHARMACOLOGICAL RELEVANCE: Microorganisms are developing resistance to synthetic drugs. As a result, the search for novel antimicrobial compounds has become an urgent need. Medicinal plants are commonly used as traditional medicine and Delphinium is one of the prominent genus used in the treatment of several diseases. AIM OF THE STUDY: The present study aimed to determine the in vitro and in silico antimicrobial activities of petroleum ether, ethyl acetate and methanol extracts from the leaf samples of plant (Delphinium cashmerianum L.) against various bacterial and fungal strains. MATERIAL AND METHODS: Three extracts of Delphinium cashmerianum prepared and 88 bioactive compounds were analyzed through LC-MS data with the vast majority of them having therapeutic applications. These extracts have been screened for the antimicrobial activity against various bacterial (Escherichia coli, Micrococcus luteus, Klebsiella pneumoniae, Streptococcus pneumonia, Haemophilus influenzae, Neisseria mucosa) and fungal (Candida albicans, Candida glabrata, Candida paropsilosis) species through in silico molecular docking approach using autodock vina software, molecular dynamic simulation (MDS), in vitro disc diffusion and broth microdilution method for minimum inhibitory concentration (MIC) evaluation. RESULTS: Our results demonstrated that all three extracts were active against the whole set of microorganisms. The ethyl acetate extract was the most active against S.pneumonia, K. pneumoniae and C. albicans with a minimum inhibitory concentration (MIC) value of 6.25, 25 and 50 μg/ml, respectively. The petroleum ether and methanol extracts were active against S.pneumonia and N.mucosa with MIC values of 25 and 50 μg/ml. Furthermore, we also performed the in silico virtual screening of all these compounds obtained from LC-MS data analysis against various known drug targets of bacterium and fungi. Upon analysis, we obtained 5 compounds that were efficiently binding to the drug targets. However, after performing exhaustive molecular docking and molecular dynamic simulation (MDS) analysis, it was observed that Daidzein compound is bound to drug targets more efficiently. CONCLUSION: The results showed that these plant extracts exhibit antimicrobial activity and ethyl acetate extract proved to exhibit the most effective antibacterial and antifungal properties.
Authors: Basharat Ahmad Bhat; Abdullah Almilaibary; Rakeeb Ahmad Mir; Badr M Aljarallah; Wajahat R Mir; Fuzail Ahmad; Manzoor Ahmad Mir Journal: Front Neurosci Date: 2022-05-16 Impact factor: 5.152
Authors: Basharat Ahmad Bhat; Wajahat Rashid Mir; Bashir Ahmad Sheikh; Mustafa Alkanani; Manzoor Ahmad Mir Journal: Sci Rep Date: 2022-05-04 Impact factor: 4.996
Authors: Shazia Sofi; Umar Mehraj; Hina Qayoom; Shariqa Aisha; Abdullah Almilaibary; Mustfa Alkhanani; Manzoor Ahmad Mir Journal: Med Oncol Date: 2022-06-20 Impact factor: 3.738