Recent progress on the prospective application of machine learning to structure-based virtual screening
As more bioactivity and protein structure data become available, scoring functions (SFs)
using machine learning (ML) to leverage these data sets continue to gain further accuracy …
using machine learning (ML) to leverage these data sets continue to gain further accuracy …
Application of nanopore sequencing technology in the clinical diagnosis of infectious diseases
LL Zhang, C Zhang, JP Peng - Biomedical and Environmental Sciences, 2022 - Elsevier
Infectious diseases are an enormous public health burden and a growing threat to human
health worldwide. Emerging or classic recurrent pathogens, or pathogens with resistant …
health worldwide. Emerging or classic recurrent pathogens, or pathogens with resistant …
Coumarin-benzothiazole based azo dyes: synthesis, characterization, computational, photophysical and biological studies
B Manjunatha, YD Bodke, O Nagaraja… - Journal of Molecular …, 2021 - Elsevier
In this paper, we have reported the synthesis of some coumarin-benzothiazole based azo
dyes (C 1-C 5). The structure of the synthesised dyes was precisely established from their …
dyes (C 1-C 5). The structure of the synthesised dyes was precisely established from their …
Quinoline heterocyclic containing plant and marine candidates against drug-resistant Mycobacterium tuberculosis: A systematic drug-ability investigation
Today, tuberculosis (TB) caused by the acid-fast bacilli, Mycobacterium tuberculosis (Mtb) is
the most infectious killer disease globally with high morbidity and mortality rates. The rapid …
the most infectious killer disease globally with high morbidity and mortality rates. The rapid …
[PDF][PDF] Mucosal exposure to non-tuberculous mycobacteria elicits B cell-mediated immunity against pulmonary tuberculosis
TS Dutt, BR Karger, A Fox, N Youssef, R Dadhwal… - Cell reports, 2022 - cell.com
Summary Bacille Calmette-Guerin (BCG) is the only licensed vaccine against
Mycobacterium tuberculosis (Mtb), the causative agent of tuberculosis (TB) disease …
Mycobacterium tuberculosis (Mtb), the causative agent of tuberculosis (TB) disease …
Bioevaluation of quinoline‐4‐carbonyl derivatives of piperazinyl‐benzothiazinones as promising antimycobacterial agents
The quinoline moiety remains a privileged antitubercular (anti‐TB) pharmacophore,
whereas 8‐nitrobenzothiazinones are emerging potent antimycobacterial agents with two …
whereas 8‐nitrobenzothiazinones are emerging potent antimycobacterial agents with two …
Development of predictive classification models for whole cell antimycobacterial activity of benzothiazinones
S Schieferdecker, FA Bernal, KP Wojtas… - Journal of Medicinal …, 2022 - ACS Publications
Nitrobenzothiazinones (BTZs) are a very potent class of antibiotics against Mycobacterium
tuberculosis. However, relationships between their structural properties and whole cell …
tuberculosis. However, relationships between their structural properties and whole cell …
Combined Bioinformatics and Combinatorial Chemistry Tools to Locate Drug‐Able Anti‐TB Phytochemicals: A Cost‐Effective Platform for Natural Product‐Based Drug …
SS Swain, T Hussain - Chemistry & Biodiversity, 2022 - Wiley Online Library
Based on extensive experimental studies, a huge number of phytochemicals showed
potential activity against tuberculosis (TB) at a lower minimum inhibitory concentration (MIC) …
potential activity against tuberculosis (TB) at a lower minimum inhibitory concentration (MIC) …
Machine learning prediction of mycobacterial cell wall permeability of drugs and drug-like compounds
EV Radchenko, GV Antonyan, SK Ignatov, VA Palyulin - Molecules, 2023 - mdpi.com
The cell wall of Mycobacterium tuberculosis and related organisms has a very complex and
unusual organization that makes it much less permeable to nutrients and antibiotics, leading …
unusual organization that makes it much less permeable to nutrients and antibiotics, leading …
Isoxazole carboxylic acid methyl ester-based urea and thiourea derivatives as promising antitubercular agents
In our continued efforts to find potential chemotherapeutics active against drug-resistant
(DR) Mycobacterium tuberculosis (Mtb), causative agent of Tuberculosis (TB) and to curb the …
(DR) Mycobacterium tuberculosis (Mtb), causative agent of Tuberculosis (TB) and to curb the …