Antimycobacterial potential of novel hydrazone derivatives

700-709Molecular docking of 1 to 51 compounds has been performed in Small-Molecule Drug Discovery Suite of Schrödinger. Fifty one compounds have been targeted on 2NSD and 2X22 involved in tuberculosis activity. Aryloxy moiety on refluxing with chloroethyl acetate in the presence of potassium carbonate and acetone has yielded ethyl aryloxy acetate (A), which have been reacted with hydrazine hydrate to produce aryloxyacetyl hydrazine (B), which on treatment with aromatic aldehydes or ketones yield hydrazones (C). The novel series of compounds have been elucidated on the basis of spectral studies and screened for antimycobacterial activity. The compounds are significantly sensitive at concentration 50 and 100 μg/mL. Compound 11 shows sensitivity at 25 μg/mL. The antibacterial activity is strongly connected with the position of the substituent on aromatic aldehyde or ketones in relation to the hydrazide skeleton

Antimycobacterial potential of novel hydrazone derivatives

Molecular docking of 1 to 51 compounds has been performed in Small-Molecule Drug Discovery Suite of Schrödinger. Fifty one compounds have been targeted on 2NSD and 2X22 involved in tuberculosis activity. Aryloxy moiety on refluxing with chloroethyl acetate in the presence of potassium carbonate and acetone has yielded ethyl aryloxy acetate  (A), which have been reacted with hydrazine hydrate to produce aryloxyacetyl hydrazine  (B), which on treatment with aromatic aldehydes or ketones yield hydrazones  (C). The novel series of compounds have been elucidated on the basis of spectral studies and screened for antimycobacterial activity. The compounds are significantly sensitive at concentration 50 and 100 μg/mL. Compound 11 shows sensitivity at 25 μg/mL. The antibacterial activity is strongly connected with the position of the substituent on aromatic aldehyde or ketones in relation to the hydrazide skeleton

In silico study for the prediction of multiple pharmacological activities of novel hydrazone derivatives

387-402The present studies are aimed to predict multiple pharmacological activities of novel hydrazone derivatives. Molecular docking of compounds 1 to 51 have been performed in Small-Molecule Drug Discovery Suite of Schrödinger. Fifty one compounds have been targeted on seven enzymes viz. 2NSD and 2X22 involved in tuberculosis activity, 4COX and 3LN1 involved in inflammation, 4GCP and 4HL2 involved in bacterial infection and 4WMZ involved in fungal infection. The generated lower energy conformers of all ligands have been docked into generated grid of active site of enzymes by XP precision of docking inside Glide-v7.4. Molecular docking results suggest that the compounds 4, 5, 11, 18, 30, 34, 35, 37, 38, 42, 43, 44, 45, 46 and 47 have good docking score and are predicted to interact with all enzymes. In all fifteen novel hydrazone derivatives have been predicted for multiple pharmacological activities

Synthesis, molecular docking and anti-inflammatory potential of novel hydrazones of eugenol in tuberculosis treatment

551-558The hydrazone derivatives of eugenol have been designed and synthesized via esterification, hydrazination and treatment with different aldehydes or ketones. All these compounds have been docked with 4COX and 3LN1 (COX-2 enzymes) using Schrodinger v7.4. The compounds have been characterized by IR, 1H NMR and LCMS. The compounds have been evaluated for their anti-inflammatory potential using in vivo carrageenan induced rat hind paw method and in vitro protein denaturation. The study reveals that most compounds have significant anti-inflammatory activity. Tested compounds as per literature prove that they show antitubercular activity. Among tested compounds, compounds 4, 34, 37 and 42 exhibit the highest anti-inflammatory activity. The present study shows that anti-inflammatory activity of the novel hydrazone derivatives of eugenol is strongly connected with the position of the substituent on aromatic aldehyde or ketone. As these compounds possess both the activities, therefore they may be useful in tuberculosis treatment