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Deena Santhana Raj,DURAISAMI DHAMODHAR-AN,Thanigaivel Sundaram,Vickram A. S.,변헌수 한국생물공학회 2022 Biotechnology and Bioprocess Engineering Vol.27 No.4
Antibiotic overuse has resulted in the microevolution of drug-tolerant bacteria. Understandably it has become one of the most significant obstacles of the current century for scientists and researchers to overcome. Bacteria have a tendency to form biofilm as a survival mechanism. Biofilm producing microorganism become far more resistant to antimicrobial agents and their tolerance to drugs also increases. Prevention of biofilm development and curbing the virulency factors of these multi drug resistant or tolerant bacterial pathogens is a newly recognised tactic for overcoming the challenges associated with such bacterial infections and has become a niche to be addressed. In order to inhibit virulence and biofilm from planktonic bacteria such as, Pseudomonas aeruginosa, Acinetobacter baumannii, and others, stable nanoemulsions (NEs) of essential oils (EOs) and their bioactive compounds prove to be an interesting solution. These NEs demonstrated significantly greater anti-biofilm and anti-virulence activity than commercial antibiotics. The EO reduces disease-causing gene expression, which is required for pathogenicity, biofilm formation and attachment to the surfaces. Essential NE and NE-loaded hydrogel surface coatings demonstrates superior antibiofilm activity which can be employed in healthcare-related equipments like glass, plastic, and metal chairs, hospital beds, ventilators, catheters, and tools used in intensive care units. Thus, anti-virulence and antibiofilm forming strategies based on NEs-loaded hydrogel may be used as coatings to combat biofilm-mediated infection on solid surfaces.
Anbarasu Krishnan,DURAISAMI DHAMODHAR-AN,Thanigaivel Sundaram,Vickram Sundaram,변헌수 한국화학공학회 2022 Korean Journal of Chemical Engineering Vol.39 No.6
Breast cancer is the most common cause for women’s deaths worldwide. LMTK3 has been demonstrated ascritical biomarker for ER positive breast cancer. It regulates breast cancer by phosphorylating estrogen receptor. Associationof LMTK3 in breast cancer is connected with disease free and poor overall survival. In this current computationalstudy, virtual screening was accomplished on human LMTK3 using a large library of NCI database inSchrodinger. From the ligand library, the best compounds were selected and evaluated based on molecular dockingusing Glide module and their relative molecular dynamics using Desmond. Different parameters like binding energyand interactions like hydrogen bond and hydrophobic contacts have a significant impact on LMTK3 inhibition. Basedon docking score, the best lead molecules were separated and analyzed for ADME properties using QikProp tool. Overall, our results confirmed the compounds NCI26194 had been screened from the NCI database, which has thepotential to act as key drug molecule for ER positive breast cancer. In conclusion, our computer aided technique onhuman LMTK3 has high perspective for the development of novel anticancer agent for breast cancer treatment.