• Manjusha Balakrishna Suryawanshi
• More Nachiket D
• Chikhale Hemant U
• Patil Sachin Vishnu

In the present investigation, we focused our interest on the estimation of in silico screening of the fluconazole analogues. We focused our attention on replacement of one of the1,2,4-Triazole rings of fluconazole with substituted hydrazones. Hydrazones are stable to metabolic degradation and are capable of hydrogen bonding, which can be favourable in binding of biomolecular targets and for solubility. The in silico studies revealed that 4a (R=H) , 4d (R= 2-Fluoro) and 4e (R= 3-Fluoro) are a promising lead molecules upon predication of bioactivity scores. PASS online predicted various inhibitions suggestive of anti-fungal activity. All the analogues showed to be mutagen under Ames test. The structures of the synthesized compounds were established on the basis of 1HNMR , 13CNMR and HRMS data. The descriptors obtained from ADME showed good TPSA, absorption, oral bioavailability. This work could be used as an initial approach in identifying potential novel molecules with promising activity and low toxicity.

in silico, hydrazones, PASS analysis, TPSA, antifungal activity.

"Synthesis, Characterization, in-silico ADME, PASS prediction, Molinspiration, Osiris and Toxicological profiling studies of some fluconazole analogues", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.9, Issue 4, page no.d542-d555, April-2022, Available :http://www.jetir.org/papers/JETIR2204368.pdf

"Synthesis, Characterization, in-silico ADME, PASS prediction, Molinspiration, Osiris and Toxicological profiling studies of some fluconazole analogues", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.9, Issue 4, page no. ppd542-d555, April-2022, Available at : http://www.jetir.org/papers/JETIR2204368.pdf