Publications by authors named "M Haritha"

Cordia diffusa K.C. Jacob, known as Sirunaruvili, belonging to the family Boraginaceae, is a rare endemic species.

View Article and Find Full Text PDF

Introduction: Type 2 Diabetes Mellitus (T2DM) accounts for more than 95% of all diabetes cases and is a leading cause of disability and death. This study aimed to evaluate the effectiveness and safety of a combination therapy involving metformin, teneligliptin, and glimepiride in patients diagnosed with T2DM.

Methods: The present quasi-experimental clinical trial involved 300 adult T2DM patients.

View Article and Find Full Text PDF

The OCNH unit is one of the most frequently encountered structural motifs in rings in drugs which serves dual role as the proton donor through NH bond and proton acceptor through the CO bond. Here, we predicted the HB strength (E ) of OCNH motif with H O for commonly observed 37 rings in drugs with DFT method M06L/6-311++G(d,p). The HB strength is rationalized in terms of molecular electrostatic potential (MESP) topology parameters ΔV and ΔV which describe the relative electron deficient/rich nature of NH and CO, respectively, with respect to the reference formamide.

View Article and Find Full Text PDF

A two-layer ONIOM(B3LYP/6-31G*:PM7) method is used to model the binding of several drug/drug-like molecules () at the SARS-CoV-2 S-protein: human ACE2 protein interface cavity. The selected molecules include a set of thirty-five ligands from the study of Smith and Smith which showed a high docking score in the range of -7.0 to -7.

View Article and Find Full Text PDF