02628nas a2200277   4500008004100000245013400041210006900175260012700244520156300371653000601934653000601940653001801946653002401964653002101988653002102009653002502030100003002055700002702085700001802112700003002130700002802160700001502188700001402203700001202217856012102229       2015                        eng d00aMolecular sieves and ultrasound-assisted synthesis of novel 1,3,4-oxadiazole-2-thiones derivatives as potential antifungal agents0 aMolecular sieves and ultrasoundassisted synthesis of novel 134ox  aST. ALBAN-ANLAGE 66, BASEL, CH-4052, SWITZERLANDbMDPI; Univ Sanitiago Compostila; SES; Flow Chemistry; REGAL S; Molecules3 a<p>In the category of microorganism, fungi are considered as the special class of microbes responsible for opportunistic pathogenic infections in humans species. Due to the side effects of commercially available antifungal drugs and the emergence of new drug resistant fungal species in the past few years, has forced the researchers to search for novel and efficient antifungal drug molecules. The 1,3,4-oxadiazoles scaffold is associated with diverse biological activities. The multipurpose use of the Mannich bases in pharmaceutical chemistry promote us to prepare a new series of 5-(4-(benzyloxy)substituted phenyl)-3-((phenyl amino)methyl)-1,3,4oxadiazole-2(3H)-thione as antifungal agents. Herein, we report molecular sieves and ultrasound assisted synthesis of novel series of Mannich bases of the 5-substituted 1,3,4-oxadiazole-2-thiones by amino methylation with paraformaldehyde and substituted primary / secondary amines and their evaluation for antifungal activity. The structures of the newly synthesized compounds were determined by IR, NMR and Mass spectral study. The synthesized compounds exhibited interesting moderate to excellent antifungal activity against Candida albicans (NCIM 3557), Candida albicans(NCIM3471), Candida glabrata(NCIM3237), Cryptococcus neoformans (NCIM 3542), Cryptococcus neoformans(NCIM 3378), Aspergillus fumigates(NCIM 902), Aspergillus niger(NCIM 628) using Flucanazole as a standard reference drug. The synthesised compounds 6d, 6f,6g, 6h and 6j exhibited promising antifungal activity as antifungal agents.</p>10a110a310a4-oxadiazoles10aAntifungal activity10aMannich reaction10aMolecular sieves10aUltrasound -assisted1 aNikalje, Anna, Pratima G.1 aNimbalkar, Ms, Urja D.1 aTupe, Santosh1 aVazquez, Julio, A. Seijas1 aTato, Maria, Pilar Vazq1 aSeijas, JA1 aTato, MPV1 aLin, SK  uhttps://library.ncl.res.in/content/molecular-sieves-and-ultrasound-assisted-synthesis-novel-134-oxadiazole-2-thiones02359nas a2200301   4500008004100000022001400041245019600055210006900251260006500320300000800385490000700393520123800400653000601638653000601644653001801650653002401668653002101692653002201713653002101735653001501756100002401771700002201795700003001817700002601847700003101873700003001904856012301934       2016                        eng d  a1420-304900aUltrasound- and molecular sieves-assisted synthesis, molecular docking and antifungal evaluation of 5-(4-(benzyloxy)-substituted phenyl)-3-((phenylamino)methyl)-1,3,4-oxadiazole-2(3H)-thiones0 aUltrasound and molecular sievesassisted synthesis molecular dock  aST ALBAN-ANLAGE 66, CH-4052 BASEL, SWITZERLANDbMDPI AGcMAY  a4840 v213 a<p>A novel series of 5-(4-(benzyloxy) substituted phenyl)-3-((phenyl amino) methyl)-1,3,4-oxadiazole-2(3H)-thione Mannich bases 6a-o were synthesized in good yield from the key compound 5-(4-(benzyloxy) phenyl)-1,3,4-oxadiazole-2(3H)-thione by aminomethylation with paraformaldehyde and substituted amines using molecular sieves and sonication as green chemistry tools. The antifungal activity of the new products was evaluated against seven human pathogenic fungal strains, namely, Candida albicans ATCC 24433, Candida albicans ATCC 10231, Candida glabrata NCYC 388, Cryptococcus neoformans ATCC 34664, Cryptococcus neoformans PRL 518, Aspergillus fumigatus NCIM 902 and Aspergillus niger ATCC 10578. The synthesized compounds 6d, 6f, 6g, 6h and 6j exhibited promising antifungal activity against the tested fungal pathogens. In molecular docking studies, derivatives 6c, 6f and 6i showed good binding at the active site of C. albicans cytochrome P450 enzyme lanosterol 14 alpha-demethylase. The in vitro antifungal activity results and docking studies indicated that the synthesized compounds have potential antifungal activity and can be further optimized as privileged scaffolds to design and develop potent antifungal drugs.</p>10a110a310a4-oxadiazoles10aAntifungal activity10aMannich reaction10aMolecular docking10aMolecular sieves10aUltrasound1 aNimbalkar, Urja, D.1 aTupe, Santosh, G.1 aVazquez, Julio, A. Seijas1 aKhan, Firoz, A. Kalam1 aSangshetti, Jaiprakash, N.1 aNikalje, Anna, Pratima G.  uhttps://library.ncl.res.in/content/ultrasound-and-molecular-sieves-assisted-synthesis-molecular-docking-and-antifungal