Structure-Based Virtual Screening of Benzaldehyde Thiosemicarbazone Derivatives against DNA Gyrase B of Mycobacterium tuberculosis

Emergence of antibiotic-resistant Mycobacterium tuberculosis (M. tuberculosis) restricts the availability of drugs for the treatment of tuberculosis, which leads to the increased morbidity and mortality of the disease worldwide. There are many intrinsic and extrinsic factors that have been reported for the resistance mechanism. To overcome such mechanisms, chemically synthesized benzaldehyde thiosemicarbazone derivatives were screened against M. tuberculosis to find potential inhibitor for tuberculosis. Such filtering process resulted in compound 13, compound 21, and compound 20 as the best binding energy compounds against DNA gyrase B, an important protein in the replication process. The ADMET prediction has shown the oral bioavailability of the novel compounds.

In-vivo Study on Organometallic Compounds as Anticancer Agents

This study aims to study the in-vivo anticancer effect of the synthesized copper complexes of 2,3-dihydroxy benzaldehyde thiosemicarbazone (3a,b), followed by evaluating their antioxidant activity. Materials and methods: A total number of 80 adult female swiss albino mice weighing 20-25 gm were divided into 8 groups (10 mice /each group). The acute toxicity was estimated by intraperitoneal injection of the compounds (3a, b). Results: We found that, 5 mg /kg and 10 mg /kg were considered to be the most effective dose of compounds 3a & 3b, respectively. The mean volume of EAC in the positive control group was found to be 4.2 ±0.5 (mL), this value was significantly decreased by 100%, (p<0.001) for 3a & 3b treated groups, respectively.

Inhibition behaviour of mild steel by three new benzaldehyde thiosemicarbazone derivatives in 0.5 M H 2 SO 4 : experimental and computational study

Three new benzaldehyde thiosemicarbazone derivatives namely benzaldehyde thiosemicarbazone (BST), 4-carboxyl benzaldehyde thiosemicarbazone (PBST) and 2-carboxyl benzaldehyde thiosemicarbazone (OCT) were synthesized and their inhibition effects on mild steel corrosion in 0.5 M H 2 SO 4 solution were studied systematically using gravimetric and electrochemical measurements. Weight loss results revealed that PBST exhibited the highest inhibition efficiency of 96.6% among the investigated compounds when the concentration was 300 µM. The analysis of polarization curves indicated that the three benzaldehyde thiosemicarbazone derivatives acted as mixed type inhibitors and PBST and OCT predominantly anodic. The adsorption process of all these benzaldehyde thiosemicarbazone derivatives on Q235 steel surface in 0.5 M H 2 SO 4 solution conformed to Langmuir adsorption isotherm. Scanning electron microscopy was conducted to show the presence of benzaldehyde thiosemicarbazone derivatives on Q235 mild steel surface. The results of theoretical calculations were in good agreement with that of experimental measurements.