Synthesis,biological evaluations and computational studies of N-(3-(-2-(7-Chloroquinolin-2-yl)vinyl) benzylidene)anilines as fungal biofilm inhibitors |
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Authors: | Firoz A Kalam Khan Rashmi N Kaduskar Rajesh Patil Rajendra H Patil Siddique Akber Ansari Hamad M Alkahtani Abdulrahman A Almehizia Devanand B Shinde Jaiprakash N Sangshetti |
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Institution: | 1. Anjuman-I-Islam’s Kalsekar Technical Campus, School of Pharmacy, Navi Mumbai 410206, M.S., India;2. Y.B. Chavan College of Pharmacy, Dr. Rafiq Zakaria Campus, Aurangabad 431 001, M.S., India;3. Sinhgad Technical Education Society''s, Smt. Kashibai Navale College of Pharmacy, Kondhwa (Bk), Pune, India;4. Department of Biotechnology, Savitribai Phule Pune University, Pune 411007, M.S., India;5. Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Po Box 2454, Riyadh 11451, Saudi Arabia;6. Shivaji University, Vidyanagar, Kolhapur 416004, MS, India |
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Abstract: | In the present investigation, new chloroquinoline derivatives bearing vinyl benzylidene aniline substituents at 2nd position were synthesized and screed for biofilm inhibitory, antifungal and antibacterial activity. The result of biofilm inhibition of C. albicans suggested that compounds 5j (IC50 value?=?51.2?μM) and 5a (IC50 value?=?66.2?μM) possess promising antibiofilm inhibition when compared with the standard antifungal drug fluconazole (IC50?=?40.0?μM). Two compounds 5a (MIC?=?94.2?μg/mL) and 5f (MIC?=?98.8?μg/mL) also exhibited good antifungal activity comparable to standard drug fluconazole (MIC?=?50.0?μg/mL). The antibacterial screening against four strains of bacteria viz. E. coli, P. aeruginosa, B. subtilis, and S. aureus suggested their potential antibacterial activity and especially all the compounds except 5g were found more active than the standard drug ciprofloxacin against B. subtilis. To further gain insights into the possible mechanism of these compounds in biofilm inhibition through the agglutinin like protein (Als), molecular docking and molecular dynamics simulation studies were carried out. Molecular modeling studies suggested the clear role in inhibition of this protein and the resulting biofilm inhibitory activity. |
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Keywords: | Quinoline Schiff bases Fungal biofilm inhibition Antibacterial activity Molecular docking Molecular dynamics |
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