Exploration of interaction behavior between spiro[indene-2,2'-[1,3,5]oxathiazine]-1,3-diones and DNA with the help of DFT, molecular docking, and MD simulations

Fsp3: A new parameter for drug-likeness

(2020) Wenxiu Wei et al.   DRUG DISCOVERY TODAY

Discovery of a Janus Kinase Inhibitor Bearing a Highly Three-Dimensional Spiro Scaffold: JTE-052 (Delgocitinib) as a New Dermatological Agent to Treat Inflammatory Skin Disorders

(2020) Satoru Noji et al.   JOURNAL OF MEDICINAL CHEMISTRY

Design, Synthesis, and Biological Evaluation of Novel DNA Gyrase-Inhibiting Spiropyrimidinetriones as Potent Antibiotics for Treatment of Infections Caused by Multidrug-Resistant Gram-Positive Bacteria

(2019) Chenghui Shi et al.   JOURNAL OF MEDICINAL CHEMISTRY

Density functional theory evaluation of pristine and BN-doped biphenylene nanosheets to detect HCN

(2019) Razieh Esfandiarpour et al.   JOURNAL OF MOLECULAR MODELING

Densely functionalised spirocyclic oxetane-piperidine scaffolds for drug discovery

(2018) Gemma C. Geary et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Synthesis of Multifunctional Spirocyclic Azetidines and Their Application in Drug Discovery

(2018) Alexander A. Kirichok et al.   CHEMISTRY-A EUROPEAN JOURNAL

DNA Fragmentation, Cell Cycle Arrest, and Docking Study of Novel Bis Spiro-cyclic 2-oxindole of Pyrimido[4,5-b]quinoline-4,6-dione Derivatives Against Breast Carcinoma

(2018) Magda F. Mohamed et al.   CURRENT CANCER DRUG TARGETS

spiro -Cyclotriphosphazenes containing 4-hydroxyphenylethyl pendant arm: Syntheses, structural characterization and DNA interaction study

(2018) Serhan Pektaş et al.   INORGANICA CHIMICA ACTA

Atomistic computer simulations on multi-loaded PAMAM dendrimers: a comparison of amine- and hydroxyl-terminated dendrimers

(2017) Farideh Badalkhani-Khamseh et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Insights into the pharmacology of new heterocycles embedded with oxopyrrolidine rings: DNA binding, molecular docking, and anticancer studies

(2017) Imran Ali et al.   JOURNAL OF MOLECULAR LIQUIDS

Exploration of a Au(i)-mediated three-component reaction for the synthesis of DNA-tagged highly substituted spiroheterocycles

(2017) Mateja Klika Škopić et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Synthesis of phenanthridine spiropyrans and studies of their effects on G-quadruplex DNA

(2017) M. Livendahl et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Organocatalytic Enantioselective Vinylogous Michael-Aldol Cascade for the Synthesis of Spirocyclic Compounds

(2017) Santigopal Mondal et al.   ORGANIC LETTERS

The utilization of spirocyclic scaffolds in novel drug discovery

(2016) Ya-Jun Zheng et al.   Expert Opinion on Drug Discovery

Modern advances in heterocyclic chemistry in drug discovery

(2016) Alexandria P. Taylor et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

FT-IR, molecular structure, first order hyperpolarizability, MEP, HOMO and LUMO analysis and NBO analysis of 4-[(3-acetylphenyl)amino]-2-methylidene-4-oxobutanoic acid

(2015) Rahul Raju et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Four-Membered Ring-Containing Spirocycles: Synthetic Strategies and Opportunities

(2014) Erick M. Carreira et al.   CHEMICAL REVIEWS

Chemical reactivity and microbicidal action of bethoxazin

(2012) Gaik-Lean Chee et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Sanjeevini: a freely accessible web-server for target directed lead molecule discovery

(2012) B Jayaram et al.   BMC BIOINFORMATICS

Heterocycles in drugs and drug discovery

(2012) A. Gomtsyan   Chemistry of Heterocyclic Compounds

cclib: A library for package-independent computational chemistry algorithms

(2007) Noel M. O'boyle et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY