FabI (enoyl acyl carrier protein reductase)-A potential broad spectrum therapeutic target and its inhibitors
Abstract Development of new anti-bacterial agents acting upon underexploited targets and
thus evading known mechanisms of resistance is the need of the hour. The highly conserved …
thus evading known mechanisms of resistance is the need of the hour. The highly conserved …
Novel 1, 2, 3-triazole-based benzothiazole derivatives: Efficient synthesis, DFT, molecular docking, and ADMET studies
Z Mirjafary, M Mohammad Karbasi, P Hesamzadeh… - Molecules, 2022 - mdpi.com
A new series of 1, 2, 3-triazole derivatives 5a–f based on benzothiazole were synthesized by
the 1, 3-dipolar cycloaddition reaction of S-propargyl mercaptobenzothiazole and α-halo …
the 1, 3-dipolar cycloaddition reaction of S-propargyl mercaptobenzothiazole and α-halo …
Enoyl acyl carrier protein reductase inhibitors: An updated patent review (2011–2015)
ABSTRACT Introduction: Enoyl-(acyl-carrier-protein) reductase (ENR) is a limiting step
enzyme in the Fatty Acid Synthase II system. In mammals, there is no homologue to ENR …
enzyme in the Fatty Acid Synthase II system. In mammals, there is no homologue to ENR …
Molecular modelling study and antibacterial evaluation of diphenylmethane derivatives as potential fabi inhibitors
The need for new antibiotics has become a major worldwide challenge as bacterial strains
keep developing resistance to the existing drugs at an alarming rate. Enoyl-acyl carrier …
keep developing resistance to the existing drugs at an alarming rate. Enoyl-acyl carrier …
Identification of new inhibitors of Mdm2–p53 interaction via pharmacophore and structure-based virtual screening
Background The tumor suppressor protein p53 plays an important role in preventing tumor
formation and progression through its involvement in cell division control and initiation of …
formation and progression through its involvement in cell division control and initiation of …
Vibrational spectroscopic analysis of cyanopyrazine-2-carboxamide derivatives and investigation of their reactive properties by DFT calculations and molecular …
S Beegum, YS Mary, HT Varghese, CY Panicker… - Journal of Molecular …, 2017 - Elsevier
Using density functional theory technique in the B3LYP approximation and cc-pVDZ (5D, 7F)
basis set, the molecular structural parameters and vibrational wave numbers of two …
basis set, the molecular structural parameters and vibrational wave numbers of two …
Druggability analysis and classification of protein tyrosine phosphatase active sites
MA Ghattas, N Raslan, A Sadeq… - Drug design …, 2016 - Taylor & Francis
Protein tyrosine phosphatases (PTP) play important roles in the pathogenesis of many
diseases. The fact that no PTP inhibitors have reached the market so far has raised many …
diseases. The fact that no PTP inhibitors have reached the market so far has raised many …
Synthesis of novel pyrazinamide derivatives based on 3-chloropyrazine-2-carboxamide and their antimicrobial evaluation
O Jandourek, M Tauchman, P Paterova, K Konecna… - Molecules, 2017 - mdpi.com
Aminodehalogenation of 3-chloropyrazine-2-carboxamide with variously substituted
benzylamines yielded a series of fifteen 3-benzylaminopyrazine-2-carboxamides. Four …
benzylamines yielded a series of fifteen 3-benzylaminopyrazine-2-carboxamides. Four …
Identification of PfENR inhibitors: A hybrid structure‐based approach in conjunction with molecular dynamics simulations
In the current study, we have constructed receptor‐based pharmacophore models by
exploiting the Plasmodium falciparum enoyl‐acyl carrier protein reductase (PfENR) …
exploiting the Plasmodium falciparum enoyl‐acyl carrier protein reductase (PfENR) …
Pyrazinamide Analogs Designed for Rational Drug Designing Strategies against Resistant Tuberculosis
S Alghamdi, M Asif - Russian Journal of Bioorganic Chemistry, 2022 - Springer
Tuberculosis (TB) is a granulomatous infection that is still the biggest cause of death across
the world. TB is a leading cause of death among those living with the Human …
the world. TB is a leading cause of death among those living with the Human …