Crystallography, Molecular Modeling, and COX-2 Inhibition Studies on Indolizine Derivatives

Larvicidal Activities of 2-Aryl-2,3-Dihydroquinazolin -4-ones against Malaria Vector Anopheles arabiensis, In Silico ADMET Prediction and Molecular Target Investigation

(2020) Katharigatta N. Venugopala et al.   MOLECULES

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

(2020) Katharigatta N. Venugopala et al.   Antibiotics-Basel

Anti-tubercular Potency and Computationallyassessed Drug-likeness and Toxicology of Diversely Substituted Indolizines

(2019) Katharigatta N Venugopala et al.   Indian Journal of Pharmaceutical Education and Research

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

(2019) Katharigatta Narayanaswamy Venugopala et al.   PLoS One

Design, synthesis, and structural elucidation of novel NmeNANAS inhibitors for the treatment of meningococcal infection

(2019) Osama I. Alwassil et al.   PLoS One

Novel Series of Methyl 3-(Substituted Benzoyl)-7-Substituted-2-Phenylindolizine-1-Carboxylates as Promising Anti-Inflammatory Agents: Molecular Modeling Studies

(2019) Venugopala et al.   Biomolecules

Synthesis and Structural Elucidation of Novel 2,4-Disubstituted 1,3-Oxazole Analogues for Pharmacological Properties

(2018) Katharigatta N. Venugopala   ASIAN JOURNAL OF CHEMISTRY

Synthesis, biological evaluation and docking study of 1,3,4-thiadiazole-thiazolidinone hybrids as anti-inflammatory agents with dual inhibition of COX-2 and 15-LOX

(2018) Yasser M. Omar et al.   BIOORGANIC CHEMISTRY

Efficient Synthesis and Characterization of Novel Substituted 3-Benzoylindolizine Analogues via the Cyclization of Aromatic Cycloimmoniumylides with Electrondeficient Alkenes

(2018) Katharigatta N. Venugopala et al.   CURRENT ORGANIC SYNTHESIS

Roles of Cyclooxygenase, Prostaglandin E2 and EP Receptors in Mucosal Protection and Ulcer Healing in the Gastrointestinal Tract

(2018) Koji Takeuchi et al.   CURRENT PHARMACEUTICAL DESIGN

Benzothiazole analogs as potential anti-TB agents: computational input and molecular dynamics

(2018) Katharigatta N. Venugopala et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

One-pot microwave assisted synthesis and structural elucidation of novel ethyl 3-substituted-7-methylindolizine-1-carboxylates with larvicidal activity against Anopheles arabiensis

(2018) Sandeep Chandrashekharappa et al.   JOURNAL OF MOLECULAR STRUCTURE

Efficient synthesis and characterization of novel indolizines: exploration of in vitro COX-2 inhibitory activity and molecular modelling studies

(2018) Sandeep Chandrashekharappa et al.   NEW JOURNAL OF CHEMISTRY

Design and Synthesis of Novel Indolizine Analogues as COX-2 Inhibitors: Computational Perspective and in vitro Screening

(2017) Chandrashekharappa Sandeep et al.   Indian Journal of Pharmaceutical Education and Research

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

Synthesis and Characterization of Ethyl 7-Acetyl-2-substituted 3-(substituted benzoyl)indolizine-1-carboxylates for in vitro Anticancer Activity

(2016) C. Sandeep et al.   ASIAN JOURNAL OF CHEMISTRY

Greener synthesis of indolizine analogues using water as a base and solvent: study for larvicidal activity againstAnopheles arabiensis

(2016) Chandrashekharappa Sandeep et al.   Chemical Biology & Drug Design

Synthesis and biological activities of indolizine derivatives as alpha-7 nAChR agonists

(2016) Yu Xue et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

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

Studies on indolizines. Evaluation of their biological properties as microtubule-interacting agents and as melanoma targeting compounds

(2015) Alina Ghinet et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Crystal structure refinement withSHELXL

(2015) George M. Sheldrick   Acta Crystallographica Section C-Structural Chemistry

Accurate and Efficient Model Energies for Exploring Intermolecular Interactions in Molecular Crystals

(2014) Michael J. Turner et al.   Journal of Physical Chemistry Letters

Polymorphism in two biologically active dihydropyrimidinium hydrochloride derivatives: quantitative inputs towards the energetics associated with crystal packing

(2014) Piyush Panini et al.   Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials

Antiinflammatory Evaluation and Docking Studies of Some New Thienopyrimidines

(2013)   ASIAN JOURNAL OF CHEMISTRY

Synthesis, evaluation, and molecular docking studies of cycloalkyl/aryl-3,4,5-trimethylgallates as potent non-ulcerogenic and gastroprotective anti-inflammatory agents

(2013) Mamta Sachdeva Dhingra et al.   MEDICINAL CHEMISTRY RESEARCH

Synthesis, anti-inflammatory evaluation, and docking studies of some new thiazole derivatives

(2013) Pran Kishore Deb et al.   MEDICINAL CHEMISTRY RESEARCH

Synthesis, evaluation and docking studies on 3-alkoxy-4-methanesulfonamido acetophenone derivatives as non ulcerogenic anti-inflammatory agents

(2012) Alka Bali et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

WinGXandORTEP for Windows: an update

(2012) Louis J. Farrugia   JOURNAL OF APPLIED CRYSTALLOGRAPHY

N-(2-Amino-3,5-dibromobenzyl)-N-methylcyclohexan-1-aminiump-toluenesulfonate

(2011) Meenaxi M. Maste et al.   ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE

Amberlite–IRA-402 (OH) ion exchange resin mediated synthesis of indolizines, pyrrolo [1,2-a] quinolines and isoquinolines: Antibacterial and antifungal evaluation of the products

(2011) Abhijit Hazra et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates

(2010) Susanta K. Nayak et al.   CRYSTENGCOMM

Synthesis, anti-inflammatory evaluation and docking studies of some new fluorinated fused quinazolines

(2010) C. Balakumar et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Design and synthesis of new 1,3-benzthiazinan-4-one derivatives as selective cyclooxygenase (COX-2) inhibitors

(2009) Afshin Zarghi et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Electrostatic potentials mapped on Hirshfeld surfaces provide direct insight into intermolecular interactions in crystals

(2008) Mark A. Spackman et al.   CRYSTENGCOMM