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5-(substituted/unsubstituted benzofuran-2-yl)-1-phenyl-1H-pyrazole-3-carbohydrazides 1a-b  on reaction with phenylisothiocyanate, potassium thiocyanate, carbon disulphide in pyridine and carbon disulphide in KOH followed by hydrazine hydrate afforded nitrogenous, sulphur bridgehead heterocycles 2-5a-d respectively. The structures of the newly synthesized compounds were elucidated by elemental analysis and spectral data such as IR, 1H NMR, 13C NMR and mass spectra. In addition the in vitro antibacterial and antifungal properties were tested for these synthesized compounds against B. subtilis, S. aureus, E. coli, P. aeruginosa and A. niger compared with ampicillin and clotrimazole as reference drugs. Synthesized compounds were found to possess moderate to excellent activity against selected strains.

5-(7-bromo-5-chloro-3-methylbenzofuran-2-yl)-1-phenyl-1H-pyrazole-3-carbohydrazide 1 underwent a series of hetero-cyclization reactions with different chemical reagents such as triethylorthoformate, acetic acid in phosphorous oxychloride, benzoic acid in phosphorous oxychloride,  N,N’carbonyldiimidazole in dioxane, carbon disulphide in pyridine to afford substituted 1,3,4-oxadiazoles 2, 3, 4, 5 and 6 respectively.  Extending the reaction of 6 with 4-(2-chloroethyl) morpholine hydrochloride afforded 7. The structures of the newly synthesized compounds were established on the basis of spectral analysis such as IR, 1H NMR, 13C NMR and Mass spectral data. The synthesized compounds were screened for their antimicrobial activity against two gram positive and gram negative bacteria and a fungus and found to possess good activity against selected strains.

1,4-Benzothiazine derivatives having variable antifungal activity against four species of fungus such as Candida albicans, Trichophyton rubrum, Epidermophyton floccosum and Malassazia furfur  were selected to develop 2D and 3DQSAR models. The best 2DQSAR model was selected, having correlation coefficient r2 (0.8747) and cross validated squared correlation coefficient q2 (0.7145) with external predictive ability of pred_r2 (0.9658). 2DQSAR parameters are Quadrople1, SssCH2count, XA Average hydrophobicity, X Amost hydrophilic area and Polar surface area excluding P and S contributed in the model. The best 3DQSAR model having the correlation coefficient r2= 0.8635 was selected for further study. The model was further validated by means of crossed squared correlation coefficient q2 =0.7614 and pred_r2 =0.6654, which show that the model has good predictive ability and was developed by Forward SW-MLR. From QSAR model it concluded that the bulky substitution is require at para and meta position of Phenyl ring and less bulky substitution at ortho position of phenyl ring for antifungal activity.

The present study will focus mainly on the new series of 1,2,3- triazoles linked with 7-amino-4-methyl coumarin (4) are synthesized using Click reaction. All the newly synthesized compounds (7a-q) are characterized by analytical and spectroscopic methods (IR, HRMS, 1H and 13C-NMR) and subjected to cytotoxicity screening against a panel of six different human cancer cell lines viz. Hela, PANC1, HepG2, SKNSH, MDAMB and IMR 32 cell lines. Interestingly, among the tested molecules, some of the analogs displayed better cytotoxic activity. Out of the synthesized triazoles (7a-q), compounds 7h, 7i and 7l showed potent activity, as 7h and 7l showed more potent activity against IMR32 cell line with GI50 of 0.015 and 0.02 μM, respectively and 7i with GI50 of 0.02 μM against SKNSH cell line. Further photophysical properties (UV & fluorescence) for these compounds (7a-q) are also discussed.

The novel compounds containing two phenyl rings at 3, 5 position of 1, 2-pyrazoline sulphonamide derivatives synthesized. N-((3-(4-aminophenyl)-5-(3,4-disubstitutedphenyl)-4,5-dihydropyrazol-1-yl)methyl)benzenamine screened  for Angiotensin II receptor antagonistic activity  in  1K-1C goldblatt hypertensive rats using tail cuff method. N-((3-(4-aminophenyl)-5-(3,4-dichlorophenyl)-4,5-dihydropyrazol-1-yl)methyl)benzenamine sulphonamide exhibited potent antihypertensive activity.

A series of substituted 1, 4-benzothiazine derivatives were designed keeping in view the structural requirement of pharmacophore and evaluated for in silico antihypertensive activity. Docking procedures allows virtually screening a database of compounds and predict the strongest binder based on various scoring functions. In the docking study, the most active compounds of the series was, AR 1, AR 2and AR 3 exhibited good binding properties. Result reveals that the protein-ligand interaction energy of derivatives AR 1, AR 2and AR 3 were -8.08 kcal/mol, -8.48 kcal/mol and -7.75 kcal/mol, which is better than the standard antihypertensive Losartan drug as -5.51 kcal/mol, so that the derivatives have satisfactory affinity with established hypertensive receptor namely Angiotensin converted enzyme 2. A computational study was also carried out including prediction of pharmacokinetic properties, toxicity and bioactivity studies. The percentage of absorption (%ABS) was calculated and observed that all titled compounds exhibited a great %ABS ranging 90.54, 91.42 and 90.54, with respectively and compared than standard Losartan drug as %ABS 77.06. These compounds emerged as a lead in this series and making them potentially promising agents for hypertension therapy. 

A new class of heterocyclic compounds 1,3,4-thiadiazolo[3,2-a]-s-triazine have been synthesized as schiff’s base of 1,3,4- thiadiazole mix with ammonium acetate and various aromatic aldehyde treated in MW irradiation at 480 W. Reaction is based on microwave mediate multi-component reaction (MCRs). The structures of these compounds have been elucidated by spectral (IR, NMR & Mass) analysis. The title compounds were then evaluated for their in-vitro microbial activity against 2 gram –Ve bacteria (E.coli, K. pneumoniae), 2 gram +Ve bacteria (S.aerues, B.subtilis) and 1 fungal specie (A.niger). The some newly synthesized compounds have shown promising antimicrobial activity.

Heterocyclic compounds have gained immense importance in human life because of their variety of applications, particularly these compounds have been successfully tested against several diseases and therefore have acquired medicinal importance. Titled Bis-Pyrazoles have been synthesized by condensation of phenyl hydrazine hydrochloride and hydrazine hydrate respectively with Bis-chalcone dibromides in pyridine medium. All compounds have been evaluated for their in vitro growth of inhibitory activity against one Gram-positive strain Staphylococcus aureus and three Gram-negative strains like Escherichia coli, Proteus mirabilis and Salmonella typhi using paper disc-method. The culture medium was nutrient agar medium. Most of the titled Bis-pyrazoles are more or less effective against these microorganisms. Hence for treatment of diseases these Bis-pyrazoles can be used by test pathogens only when they do not have any toxic and other side effects.

A series of [Alkyl or un/substituted phenyl]-2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetamide were designed and synthesized. In vitro antifungal activity assay indicates that the 1,4-Benzothiazine has good antifungal activity against most of the tested pathogenic fungi i. e. Candida albicans, Trichophyton rubrum, Epidermophyton floccosum and Malassazia furfur. Some few compounds such as BTA-43 and BTA-56 have significant antifungal activity and broader spectrum, which are promising leads for the development of novel antifungal agents. The structures of the synthesized compounds were established on the basis of IR, NMR, 13CNMR and Mass spectra data.

A new series transition metal complexes of Cu(II), Co(II), Ni(II) and Zn(II)  complexes have been synthesized from 2-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)phenol (AMPT). The nature of bonding and the geometry of the complexes have been deduced from elemental analyses, magnetic susceptibility, infrared, electronic, 1H NMR, 13C NMR, and EPR spectral studies. The redox behavior of copper complexes was studied by cyclic voltammetry.  The second harmonic generation (SHG) efficiency was measured by Kurtz and Perry method. The ligand and their metal complexes were screened by Well diffusion method. The interaction of complexes with CT- DNA was investigated by viscosity measurement. Results suggest that all the complexes bind to DNA via an intercalative mode. The DNA cleavage ability of all the complexes was examined on calf thymus (CT-DNA) plasmids using gel electrophoresis experiment in presence of H2O2. From the results it is concluded that all the complexes cleave DNA.