Pyrazole moiety is considered as the most important therapeutic agent for the treatment of inflammation and inflammation associated cancers. Celecoxib, Ramifenazone, Rimonabant and Lonazolac are some of the commercially available pyrazole moieties which are potent COX‐2 inhibitors and also acts in inhibiting various cancers. Recently there are numerous reviews on the biological significance of pyrazole derivatives. However, this review discusses pyrazole derivatives possessing anti‐inflammatory and anticancer activity (COX inhibition) and also illustrates the recent updates on pyrazole research emphasizing on the medicinal chemistry aspects such as the key structural fragments required for the biological activity. There are series of pyrazoles like di‐substituted, tri‐substituted, tetra‐substituted pyrazoles, pyrazole hydrazones, pyrazoles bearing various other heterocycles, bicyclic fused pyrazoles, tricyclic fused pyrazoles, and miscellaneous class of pyrazoles. All these pyrazoles are being researched as COX inhibitors, anti‐inflammatory and against related disorders like cancer.

Psychiatric disorders are a heterogeneous group of mental disorders that manifest as abnormal mental or behavioral habits that cause the individual discomfort or disability. Dopamine imbalance plays a major role in many psychiatric disorders. Piperine, Curcumin and Capsaicin are CYP P450 3A4 and 2D6 inhibitors. The objective of this study is to determine the dopaminergic activity of Piperine, Curcumin and Capsaicin and also to compare cytochrome P450 3A4 and 2D6 inhibition activity by in-silico methods. In this insilico study we utilized compounds such as Piperine, Curcumin and Capsaicin were subjected to Lipinski's rule of five, and ligands were also evaluated for toxicity profile and ADMET properties. Furthermore, the ligands were performed in docking studies. All three compounds were docked with three different targeted proteins (PDB IDs: 4D7D, 4WNW, and 6LUQ).According to the docking result, Piperine has higher binding energy (-8.55 kcal/mol) (-8.1 kcal/mol) (-8.57 kcal/mol) when compared with Curcumin (-7.39 kcal/mol) (-5.61 kcal/mol) (-6.57 kcal/mol) and Capsaicin (-6.86 kcal/mol) (-6.57 kcal/mol) (-5.42 kcal/mol) and also with standard drug (-8.61 kcal/mol) (-7.65 kcal/mol) (-6.16 kcal/mol). The present study concluded that the bioactive compound Piperine has a better inhibitory activity of CYP 3A4, 2D6 enzymes and dopamine D2 receptor among the three compounds and also with the standard drug thioridazine.

Background: Tuberculosis, is a chronic infectious disease, affects one third of the global population. Emergence of Multi-resistant (MDR) strains and high susceptibility of human immunodeficiency virus (HIV) infected persons to the disease forced to develop novel anti-tuberculosis agents and preferably have a novel mechanism of action as to avoid crossresistant with other agents. Literature survey evidences that, Pyridine, Thiadiazole , Benzimidazole; and Acetyl thiophene derivatives exhibit various pharmacological activities, including anti-mycobacterial activity. Methods: Thus, a series of Pyridine, Thiadiazole, Benzimidazole; and Acetyl thiophene based molecules were designed and docked against crucial mtb enzyme target InhA (Enoyl Acyl Carrier Protein Reductase) Enzyme. The docked molecules were screened against good docking-score and multiple interactions and opted for synthesis. Synthesized molecules were re crystallized to obtain the purity. All the purified compounds were characterized by various spectral analyses and evaluated for anti- mycobacterial activity against tuberculosis H37RV strain by Microplate Alamar Blue Assay (MABA) method. Results: The experimental results shown that schiff base of Pyridine (Compounds ‘d’ ) and Benzimidazole derivatives (Compounds ‘i’ ) possesses good anti-tubercular activity with a MIC below 1.6 μg /mL. Further compound ‘e’ of benzimdazole derivative showed good anti tubercular activity with an MIC below 6.25 μg /mL. Whereas 2 - acetyl thiopene compounds exhibited moderate anti tubercular activity at below 50μg/mL. Conclusion: The comparative in vitro and molecular docking study analysis reveals that, compared to chalcones of Acetyl thiophne derivatives, Pyridine, thiadazole and Benzimidazole based schiff bases exhibited best anti tubercular activity.

Triphala Churna consisting Triphala and its constituents have been revealed to have antibacterial properties against human pathogens. The phenolic ring of phytochemicals has been confirmed to be toxic against microorganisms and hence responsible for antibacterial effect. It has also been found to possess antimicrobial, anti-inflammatory, anti-oxidant, and other properties. The objective of this project is to investigate which bioactive compounds of Triphala churna have antibacterial action and can protect humans from infection. The majority of the molecules in phytochemical examination were positive for ethanolic and acetone extracts and the physicochemical characteristics were within the acceptable limits. <em>In silico</em> data clearly explains that the compounds of Triphala churna follows <em>Lipinski’s rule of five.</em> The toxicity profile and ADME parameters of the compounds revealed that most of the compounds were nontoxic towards carcinogenicity, mutagenicity, and reproductive effect. Based on the energy type of interaction between these molecules and the study protein, molecular docking revealed that the three compounds from Triphala churna own the highest docking score against InhA protein: Terflavin B (-9.67 Kcal/mol), Ellagic acid (-9.37 Kcal/mol), and Corilagin (-8.57 Kcal/mol).