Development of dual inhibitors targeting DprE1 and AHAS for treatment of Mycobacterium tuberculosis infection

Design and Development of Novel 2-(Morpholinyl)-N-substituted Phenylquinazolin-4-amines as Selective COX-II Inhibitor

“…The anti-inflammatory activity of test compounds was performed on the Albino rats of SD and Wistar strain. The anti-inflammatory activity of compounds was done by using Carrageenan-induced and egg albumin induce rat paw methods respectively [20, 21]. Test compounds ( 5d , 5e , 5f , 5h , 5i , 5k , 5n , 5m , 5p and 5t ) showed better and…”

“…The experiments were conducted in accordance with standard guidelines. The animals were divided into three groups (control, standard test) and each experimental group consisted of six animals [19-21].…”

“…To analyze the anti-inflammatory data of synthesized compounds molecular docking studies were carried out using Vlife Science MDS software program with version 4.3 [21]. The dock score functions and hydrogen bonds formed within the reference cavity are used to predict their binding modes, affinities and orientation of synthesized compounds within active site of the COX-2 enzyme.…”

Combination of system biology to probe the anti-viral activity of andrographolide and its derivative against COVID-19

“…In contrast, MD provides the insights of interactions and energetics in a biological environment. 59,60 The extended time scale MD simulations allow exploring a vast space of conformational optimization and its stability. In the present work, 100 ns MD simulation of well-equilibrated systems was performed on the complexes of 3CL pro , PL pro , and modeled spike protein, each of which is bound to 14-deoxy-11,12-didehydroandrographolide and andrographolide, respectively.…”

Design, Synthesis and Antibacterial Studies of Some New Pyridopyrimidine Derivatives as Biotin Carboxylase Inhibitors

“…Earlier, we have reported the development of various heterocyclic scaffolds like pyrimidines and benzazoles as anti-bacterial and anti-tubercular agents. [10][11][12] In continuation to our efforts we aim to hit this newly validated target for the development of novel antibacterial agents on the basis of structural analogy and molecular docking studies. The pyridopyrimidine scaffolds provides for a wide range of activity like Bcr-abl inhibitors [13] , MexAB-OprM efflux pump inhibitor [14] , Adenosine kinase inhibitors [15] , PI3K/mTOR dual inihibition [16] , Jak1/2 inhibitor [17] , cell cycle inhibition [18] , antitubercular activity [19,20] , antioxidant activity [21] and antibacterial activity.…”