Screening of compound library identifies novel inhibitors against the MurA enzyme of Escherichia coli

Autor: Diksha, Raina, Harshita, Tiwari, Smriti, Sharma, Deepika, Praveen Kumar, Chinthakindi, Amit, Nargotra, Payare L, Sangwan, Kandasamy, Eniyan, Urmi, Bajpai, Ram A, Vishwakarma, Farrah Gul, Khan, Saurabh, Saran, Inshad Ali, Khan
Rok vydání: 2020
Předmět:
Zdroj: Applied microbiology and biotechnology. 105(9)
ISSN: 1432-0614
Popis: Bacterial cell has always been an attractive target for anti-infective drug discovery. MurA (UDP-N-acetylglucosamine enolpyruvyl transferase) enzyme of Escherichia coli (E.coli) is crucial for peptidoglycan biosynthetic pathway, as it is involved in the early stages of bacterial cell wall biosynthesis. In the present study we aim to identify novel chemical structures targeting the MurA enzyme. For screening purpose, we used in silico approach (pharmacophore based strategy) for 52,026 library compounds (Chembridge, Chemdiv and in house synthetics) which resulted in identification of 50 compounds. These compounds were screened in vitro against MurA enzyme and release of inorganic phosphate (Pi) was estimated. Two compounds (IN00152 and IN00156) were found to inhibit MurA enzyme70% in primary screening and IC
Databáze: OpenAIRE