Polypharmacological assessment of amoxicillin and its analogues against the bacterial DNA gyrase B using molecular docking, DFT and molecular dynamics simulation

• Main Authors: Miah, Roney, Singh, Gagandeep, Dubey, Amit, Soni, Hemant, Tandon, Smriti, Narasimhaji, Cheemlapati Venkata, Tufail, Aisha, Akm, Moyeenul Huq, Mohd Fadhlizil Fasihi, Mohd Aluwi
• Format: Article
• Language: English
• Published: Elsevier B.V. 2023
• Subjects: Q Science (General); RS Pharmacy and materia medica; TP Chemical technology
• Online Access: http://umpir.ump.edu.my/id/eprint/40858/1/Polypharmacological%20assessment%20of%20Amoxicillin%20and%20its%20analogues.pdf; http://umpir.ump.edu.my/id/eprint/40858/; https://doi.org/10.1016/j.amolm.2023.100024; https://doi.org/10.1016/j.amolm.2023.100024

There has been an increase in the emergence and spread of drug-resistant pathogens, leading to a steep incline in the cases of antimicrobial resistance. Due to this, there is an imperative need for the development and identification of new antimicrobials to combat this menace of antimicrobial resist...