In silico assessment of chronic toxicity of a combination drug namely ‘Olmesartan medoxomil and Hydrochlorothiazide’, marketed in Bangladesh

Abstract Background Nowadays combination therapy has become more popular due to their additional effect, synergistic effect and antagonistic effect. Any of these can influence the treatment profile. Combination is used treat some chronic diseases like diabetes, hypertension, cancer etc. But recently India banned fixed dose drug combinations increased chances adverse effects interactions. So it time take a look on present available in Bangladesh. An silico study may provide important information about probable toxicities. Drugs deposit slowly body lead Here an antihypertensive ‘Olmesartan medoxomil Hydrochlorothiazide’ had been studied. Results Olmesartan Hydrochlorothiazide have not found comply any similar protein interact with each other, thus no possible chance toxicity case long term use. Conclusions At first, using PubChem ligand was searched for canonical SMILE. By inputting SMILE Protox, basic toxicities predicted. From Swiss Target Prediction, target proteins responsible both efficacy were identified. These structures downloaded from Protein Data Bank edited Flare. Undesired amino acid, ligand–ligand complex, fatty water molecules removed by PyMOL. Structurally modified ligands inputted PDB viewer energy minimization. Energy minimization very step because unfavorable bond length, strength torsion angle between interfere docking procedure. Then (ligand) performed PyRx. Vina binding affinity provided value proteins, which determines how strong is. The negative vina affinity, stronger bond. Discovery studio software visualize complexes. Same steps followed identify desired undesired effects, but toxic protox.