Essential oils as an effective alternative for the treatment of COVID-19: Molecular interaction analysis of protease (Mpro) with pharmacokinetics and toxicological properties S Panikar, G Shoba, M Arun, JJ Sahayarayan, AUR Nanthini, ... Journal of Infection and Public Health 14 (5), 601-610, 2021 | 125 | 2021 |
Molecular characterisation of csgA gene among ESBL strains of A. baumannii and targeting with essential oil compounds from Azadirachta Indica AI Jaisankar, ASS Girija, S Gunasekaran, JV Priyadharsini Journal of King Saud University-Science, 2020 | 97 | 2020 |
Accessing the T-Cell and B-Cell immuno-dominant peptides from A. baumannii biofilm associated protein (bap) as vaccine candidates: A computational approach ASS Girija, G Shoba, JV Priyadharsini International Journal of Peptide Research and Therapeutics 27 (1), 37-45, 2020 | 63 | 2020 |
Detection of csgA gene in carbapenem-resistant Acinetobacter baumannii strains and targeting with Ocimum sanctum biocompounds SR Anchana, SAS Girija, S Gunasekaran, VJ Priyadharsini Iranian Journal of Basic Medical Sciences 24 (5), 690, 2021 | 47 | 2021 |
Molecular characterization and epitope-based vaccine predictions for ompA gene associated with biofilm formation in multidrug-resistant strains of A.baumannii D Sogasu, ASS Girija, S Gunasekaran, JV Priyadharsini In Silico Pharmacology 9, 1-11, 2021 | 16 | 2021 |
Interaction of acridinedione dye with a globular protein in the presence of site selective and site specific binding drugs: Photophysical techniques assisted by molecular … K Anju, G Shoba, A Sumita, MD Balakumaran, R Vasanthi, R Kumaran Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 258, 119814, 2021 | 12 | 2021 |
Comparative studies on biophysical interactions between 4-dicyanomethylene-2, 6-dimethyl-4H-pyran (DDP) with bovine serum albumin (BSA) and human serum albumin (HSA) via … TS Ramachandran, S Gunasekaran, SM Sreedevi, SM Vinod, ... Journal of Saudi Chemical Society 25 (12), 101364, 2021 | 11 | 2021 |
Investigation of phytochemical profile and in vivo anti-proliferative effect of Laetiporus versisporus (Lloyd) Imazeki mushroom against diethylnitrosamine-induced … URNA Shoba Gunasekaran, Vijayakumar Mayakrishnan, SameerAl-Ghamdi ... Journal of King Saud University - Science, 2021 | 8 | 2021 |
Photophysical and molecular docking studies of photoinduced electron transfer (PET) and non-PET based fluorophores of acridinedione derivatives with a glycoprotein: Ovalbumin A Sumita, G Shoba, RT Selvan, K Anju, MD Balakumaran, R Kumaran Results in Chemistry 3, 100187, 2021 | 8 | 2021 |
In Silico Molecular Interaction Analysis and Pharmacokinetic Profiling of Flavonoids from Catharanthus roseus (Flower) Against TXNIP Protein RRNS Pushpa, KS Babulal, R Kumaran, G Shoba, MD Balakumaran Trends in Sciences 20 (1), 6394-6394, 2023 | 6 | 2023 |
Molecular docking studies on the binding interaction and stability of ovalbumin with an intramolecular charge transfer dye 4-dicyanomethylene-2, 6-dimethyl-4H-pyran in the … TS Ramachandran, SM Vinod, SM Sreedevi, S Gunasekaran, T Perumal, ... Journal of the Indian Chemical Society 99 (10), 100681, 2022 | 5 | 2022 |
Molecular docking approach on the molecular interactions involving beta-lactoglobulin (βLG)-4-Dicyanomethylene2, 6-Dimethyl-4-Hpyran (DDP) dye in the presence of an antibiotic … SM Vinod, MS Sangeetha, RT Selvan, G Shoba, P Tamizhdurai, ... Journal of the Indian Chemical Society 99 (6), 100477, 2022 | 5 | 2022 |
Flavonoids–natural therapeutic agents for polycystic kidney disease G Shoba, S Hari, G Prabhavathi, S Stella Int J Pharm Bio Sci 1, B89-B105, 2010 | 5 | 2010 |
Molecular docking studies of acetate-succinate CoA-transferase of Ascaris lumbricoides with a few phytochemicals and anthelmintics K Parvatham, L Veerakumari, G Shoba J Comput Methods Mol Design 5 (4), 1-10, 2015 | 4 | 2015 |
Insights into dietary phytochemicals targeting Parkinson's disease key genes and pathways: A network pharmacology approach DSN Sasikumar, P Thiruselvam, V Sundararajan, R Ravindran, ... Computers in Biology and Medicine 172, 108195, 2024 | 3 | 2024 |
Prediction of Putative Epitope Peptides against BaeR Associated with TCS Adaptation in Acinetobacter baumannii Using an In Silico Approach ASS Girija, S Gunasekaran, S Habib, M Aljeldah, BR Al Shammari, ... Medicina 59 (2), 343, 2023 | 3 | 2023 |
Electrochemical Investigation and Molecular Docking Techniques on the Interaction of Acridinedione Dyes with Water-Soluble Nonfluorophoric Simple Amino Acids KR Sumita Anupurath, Vasanthi Rajaraman, Shoba Gunasekaran, Anju Krishnan ... ACS Omega, 2021 | 3 | 2021 |
Characterization of Vancomycin Resistant Enterococci and Drug Ligand Interaction between vanA of E. faecalis with the Bio-Compounds from Aegles marmelos. Jayavarsha V, Smiline Girija A S, Shoba Gunasekaran, Vijayashree Priyadharsini J Journal of Pharmacopuncture 26 (3), 247-256., 2023 | 2 | 2023 |
Antimicrobial potential of Chlorella sorokiniana on MRSA–An in vitro study and an in silico analysis on ClpP protease C Lloyd, MWK Wong, LJ Sin, PP Manickavasagam, S Gunasekaran, ... Journal of King Saud University-Science 35 (5), 102668, 2023 | 2 | 2023 |
Chemoprofiling and insilico prioritization of bioactive compounds from Laetiporus versisporus (Lloyd) Imazeki reveals potential Bcl-2 inhibitor. U Shoba G, Vetrivel, URN Ayyakannu Journal of Biomolecular Structure & Dynamics, 1-13, 2022 | 2 | 2022 |