相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Investigating the Impact of Different Acrylamide (Electrophilic Warhead) on Osimertinib's Pharmacological Spectrum by Molecular Mechanic and Quantum Mechanic Approach
Harun Patel et al.
COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING (2022)
Computational investigation of phytochemicals from Withania somnifera (Indian ginseng/ashwagandha) as plausible inhibitors of GluN2B-containing NMDA receptors
Iqrar Ahmad et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2022)
Synthesis, molecular modelling study of the methaqualone analogues as anti-convulsant agent with improved cognition activity and minimized neurotoxicity
Iqrar Ahmad et al.
JOURNAL OF MOLECULAR STRUCTURE (2022)
Novel thiomorpholine tethered isatin hydrazones as potential inhibitors of resistant Mycobacterium tuberculosis
Sivanandhan Karunanidhi et al.
BIOORGANIC CHEMISTRY (2021)
Novel, selective acrylamide linked quinazolines for the treatment of double mutant EGFR-L858R/T790M Non-Small-Cell lung cancer (NSCLC)
Rahul Pawara et al.
BIOORGANIC CHEMISTRY (2021)
The Mur Enzymes Chink in the Armour of Mycobacterium tuberculosis cell wall
Yashodeep Shinde et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2021)
Mining of a novel esterase (est3S) gene from a cow rumen metagenomic library with organosphosphorus insecticides degrading capability: Catalytic insights by site directed mutations, docking, and molecular dynamic simulations
Hee Yul Lee et al.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (2021)
Synthesis, characterization, antimicrobial activity and DFT study of some novel Schiff bases
Mirsada Salihovic et al.
JOURNAL OF MOLECULAR STRUCTURE (2021)
In vitro antifungal activities, molecular docking, and DFT studies of 4-amine-3-hydrazino-5-mercapto-1,2,4-triazole derivatives
Le Qi et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2021)
Detailed structural study of cyclic anticancer drug Lorlatinib: spectroscopic and stereostructure investigation (IR, ECD and NMR) using density functional theory approach
Shitian Jiang et al.
JOURNAL OF MOLECULAR STRUCTURE (2021)
β-Carboline alkaloids induce structural plasticity and inhibition of SARS-CoV-2 nsp3 macrodomain more potently than remdesivir metabolite GS-441524: computational approach
Yusuf Oloruntoyin Ayipo et al.
TURKISH JOURNAL OF BIOLOGY (2021)
Exploring MDR-TB Inhibitory Potential of 4-Aminoquinazolines asMycobacterium tuberculosis N-Acetylglucosamine-1-Phosphate Uridyltransferase (GlmUMTB) Inhibitors
Harun M. Patel et al.
CHEMISTRY & BIODIVERSITY (2020)
Synthesis and in vitro antitubercular activity of pyridine analouges against the resistant Mycobacterium tuberculosis
Harun Patel et al.
BIOORGANIC CHEMISTRY (2020)
Global Epidemiology of Tuberculosis and Progress Toward Achieving Global Targets-2017
Adam MacNeil et al.
MMWR-MORBIDITY AND MORTALITY WEEKLY REPORT (2019)
Synthesis, antitubercular evaluation and molecular docking studies of phthalimide bearing 1,2,3-triazoles
Pramod S. Phatak et al.
SYNTHETIC COMMUNICATIONS (2019)
DFT calculations on molecular structures, HOMO-LUMO study, reactivity descriptors and spectral analyses of newly synthesized diorganotin(IV) 2-chloridophenylacetohydroxamate complexes
Vineet Kumar Choudhary et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2019)
A structural insight of bedaquiline for the cardiotoxicity and hepatotoxicity
Harun Patel et al.
TUBERCULOSIS (2019)
Synthesis, crystal structure analysis, spectral IR, UV-Vis, NMR assessments, electronic and nonlinear optical properties of potent quinoline based derivatives: Interplay of experimental and DFT study
Muhammad Khalid et al.
JOURNAL OF SAUDI CHEMICAL SOCIETY (2019)
Novel phthalimide based analogues: design, synthesis, biological evaluation, and molecular docking studies
Ismail M. M. Othman et al.
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY (2019)
Synthesis, molecular docking and DNA binding studies of phthalimide-based copper(II) complex: In vitro antibacterial, hemolytic and antioxidant assessment
Rizwan Arif et al.
JOURNAL OF MOLECULAR STRUCTURE (2018)
Design, synthesis and evaluation of new GEQ derivatives as inhibitors of InhA enzyme and Mycobacterium tuberculosis growth
Aurelien Chollet et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2015)
Molecular structure, vibrational analysis (FT-IR, FT-Raman), NMR, UV, NBO and HOMO-LUMO analysis of N,N-Diphenyl Formamide based on DFT calculations
R. Mathammal et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2015)
Tuberculosis Treatment and Drug Regimens
Giovanni Sotgiu et al.
COLD SPRING HARBOR PERSPECTIVES IN MEDICINE (2015)
Tuberculosis Drug Development: History and Evolution of the Mechanism-Based Paradigm
Sumit Chakraborty et al.
COLD SPRING HARBOR PERSPECTIVES IN MEDICINE (2015)
Spectroscopic studies (FTIR, FT-Raman and UV-Visible), normal coordinate analysis, NBO analysis, first order hyper polarizability, HOMO and LUMO analysis of (1R)-N-(Prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine molecule by ab initio HF and density functional methods
S. Muthu et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2014)
FTIR, FT-RAMAN, NMR, spectra, normal co-ordinate analysis, NBO, NLO and DFT calculation of N,N-diethyl-4-methylpiperazine-1-carboxamide molecule
S. Muthu et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2013)
Synthesis and antimycobacterial activity of some phthalimide derivatives
Hulya Akgun et al.
BIOORGANIC & MEDICINAL CHEMISTRY (2012)
Use of Anti-Retroviral Therapy in Tuberculosis Patients on Second-Line Anti-TB Regimens: A Systematic Review
Matthew Arentz et al.
PLOS ONE (2012)
Spectroscopic (FT-IR, FT-Raman, UV and NMR) investigation and NLO, HOMO-LUMO, NBO analysis of organic 2,4,5-trichloroaniline
M. Govindarajan et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2012)
Comparison of the Pharmacokinetics of Two Dosage Regimens of Linezolid in Multidrug-Resistant and Extensively Drug-Resistant Tuberculosis Patients
Jan-Willem C. Alffenaar et al.
CLINICAL PHARMACOKINETICS (2010)
Synthesis and in vitro anti Mycobacterium tuberculosis activity of a series of phthalimide derivatives
Jean L. Santos et al.
BIOORGANIC & MEDICINAL CHEMISTRY (2009)
Fragment based drug discovery using fluorescence correlation spectroscopy techniques: Challenges and solutions
T. Hesterkamp et al.
CURRENT TOPICS IN MEDICINAL CHEMISTRY (2007)
B3LYP/6-311++G** geometry-optimization study of pentahydrates of α- and β-d-glucopyranose
FA Momany et al.
CARBOHYDRATE RESEARCH (2005)
DFT study of α- and β-D-mannopyranose at the B3LYP/6-311++G** level
M Appell et al.
CARBOHYDRATE RESEARCH (2005)
A diarylquinoline drug active on the ATP synthase of Mycobacterium tuberculosis
K Andries et al.
SCIENCE (2005)
Synthesis and antimicrobial activity of new adamantane derivatives II
A Orzeszko et al.
FARMACO (2000)
分享论文
