Cytotoxicity and Antimycobacterial Properties of Pyrrolo[1,2-a]quinoline Derivatives: Molecular Target Identification and Molecular Docking Studies

Synthesis and characterization of pyrrolo[1,2-a]quinoline derivatives for their larvicidal activity against Anopheles arabiensis

(2020) Vijayakumar Uppar et al.   STRUCTURAL CHEMISTRY

In silico Design and Synthesis of Tetrahydropyrimidinones and Tetrahydropyrimidinethiones as Potential Thymidylate Kinase Inhibitors Exerting Anti-TB Activity Against Mycobacterium tuberculosis

(2020) Katharigatta N Venugopala et al.   Drug Design Development and Therapy

Computational, crystallographic studies, cytotoxicity and anti-tubercular activity of substituted 7-methoxy-indolizine analogues

(2019) Katharigatta Narayanaswamy Venugopala et al.   PLoS One

Synthesis and Structural Elucidation of Novel Benzothiazole Derivatives as Anti-tubercular Agents: In-silico Screening for Possible Target Identification

(2018) Katharigatta N. Venugopala et al.   Medicinal Chemistry

Synthesis, antituberculosis studies and biological evaluation of new quinoline derivatives carrying 1,2,4-oxadiazole moiety

(2018) T.G. Shruthi et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Molecular modeling studies and anti-TB activity of trisubstituted indolizine analogues; molecular docking and dynamic inputs

(2017) Mohammed A. Khedr et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

(2017) Antoine Daina et al.   Scientific Reports

Antimycobacterial, docking and molecular dynamic studies of pentacyclic triterpenes from Buddleja saligna leaves

(2016) Alveera Singh et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits

(2016) Johannes Schiebel et al.   STRUCTURE

Design, synthesis, and characterization of (1-(4-aryl)-1H-1,2,3-triazol-4-yl)methyl, substituted phenyl-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates against Mycobacterium tuberculosis

(2016) Katharigatta Venugopala et al.   Drug Design Development and Therapy

DataWarrior: An Open-Source Program For Chemistry Aware Data Visualization And Analysis

(2015) Thomas Sander et al.   Journal of Chemical Information and Modeling

Molecular Docking Studies and Comparative Binding Mode Analysis of FDA Approved HIV Protease Inhibitors

(2014) Pran Kishore Deb et al.   ASIAN JOURNAL OF CHEMISTRY

in silico Binding Mode Analysis (Molecular Docking Studies) and Absorption, Distribution, Metabolism and Excretion Prediction of Some Novel Inhibitors of Aurora Kinase A in Clinical Trials

(2014) Pran Kishore Deb et al.   ASIAN JOURNAL OF CHEMISTRY

FDA Approval of Bedaquiline — The Benefit–Risk Balance for Drug-Resistant Tuberculosis

(2014) Edward Cox et al.   NEW ENGLAND JOURNAL OF MEDICINE

In Silicotarget fishing: addressing a “Big Data” problem by ligand-based similarity rankings with data fusion

(2014) Xian Liu et al.   Journal of Cheminformatics

Design, synthesis, and evaluation of 4-(substituted)phenyl-2-thioxo-3,4-dihydro-1H-chromino[4,3-d]pyrimidin-5-one and 4-(substituted)phenyl-3,4-dihydro-1H-chromino[4,3-d]pyrimidine-2,5-dione analogs as antitubercular agents

(2013) Premlata K. Ambre et al.   MEDICINAL CHEMISTRY RESEARCH

Synthesis and Antitubercular Activity of 2-(substituted phenyl/benzyl-amino)-6-(4-chlorophenyl)-5-(methoxycarbonyl)-4-methyl-3,6-dihydropyrimidin-1-ium Chlorides

(2012) Venugopala K. Narayanaswamy et al.   Chemical Biology & Drug Design

Copper acetate monohydrate: a cheap but efficient oxidant for synthesizing multi-substituted indolizines from pyridinium ylides and electron deficient alkenes

(2012) Huayou Hu et al.   RSC Advances

Synthesis and biological assessment of diversely substituted furo[2,3-b]quinolin-4-amine and pyrrolo[2,3-b]quinolin-4-amine derivatives, as novel tacrine analogues

(2011) Carla Martins et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Total synthesis of a depsidomycin analogue by convergent solid-phase peptide synthesis and macrolactonization strategy for antitubercular activity

(2011) Venugopala K. Narayanaswamy et al.   JOURNAL OF PEPTIDE SCIENCE

Best drug treatment for multidrug-resistant and extensively drug-resistant tuberculosis

(2010) José A Caminero et al.   LANCET INFECTIOUS DISEASES

Regioselective synthesis of 3-acylindolizines and benzo- analogues via 1,3-dipolar cycloadditions of N-ylides with maleic anhydride

(2010) Yun Liu et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Design and synthesis of novel dihydroquinoline-3-carboxylic acids as HIV-1 integrase inhibitors

(2008) Mario Sechi et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Flexophore, a New Versatile 3D Pharmacophore Descriptor That Considers Molecular Flexibility

(2008) Modest von Korff et al.   Journal of Chemical Information and Modeling

In silicoTarget Fishing for Rationalized Ligand Discovery Exemplified on Constituents ofRuta graveolens

(2008) Judith Rollinger et al.   PLANTA MEDICA