Benzenesulfonamide based 1,3,4-oxadiazole derivatives: synthesis, pharmacokinetic property prediction, bovine carbonic anhydrase activity and molecular docking studies

Synthesis, enzyme inhibition and molecular docking studies of a novel chalcone series bearing benzothiazole scaffold

(2023) Ahmad Badreddin Musatat et al.   BIOTECHNOLOGY AND APPLIED BIOCHEMISTRY

Antimicrobial, antiproliferative effects and docking studies of methoxy group enriched coumarin‐chalcone hybrids

(2023) Ahmad Badreddin Musatat et al.   CHEMISTRY & BIODIVERSITY

Software update: The ORCA program system—Version 5.0

(2022) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

Inhibitory Efficacy of Thiosemicarbazones for Carbonic Anhydrase II (Bovine and Human) as a Target of Calcification and Tumorigenicity

(2022) Majid Khan et al.   CURRENT PHARMACEUTICAL DESIGN

Bis-pharmacophore of cinnamaldehyde-clubbed thiosemicarbazones as potent carbonic anhydrase-II inhibitors

(2022) Asif Rasool et al.   Scientific Reports

Biochemical and in silico inhibition of bovine and human carbonic anhydrase-II by 1H-1,2,3-triazole analogs

(2022) Majid Khan et al.   Frontiers in Chemistry

Co-drug of isoniazid and sulfur containing antioxidant for attenuation of hepatotoxicity and treatment of tuberculosis

(2020) Neha V. Bhilare et al.   DRUG AND CHEMICAL TOXICOLOGY

Quinazolinones as Competitive Inhibitors of Carbonic Anhydrase-II (Human and Bovine): Synthesis, in-vitro, in-silico, Selectivity, and Kinetics Studies

(2020) Ajmal Khan et al.   Frontiers in Chemistry

Antimicrobial activity of 1,3,4-oxadiazole derivatives against planktonic cells and biofilm of Staphylococcus aureus

(2018) Zhaojun Zheng et al.   Future Medicinal Chemistry

Synthesis, Biological Activity and Structure-Activity Relationship of Novel Diphenylurea Derivatives Containing Tetrahydroquinoline as Carbonic Anhydrase I and II Inhibitors

(2018) Alparslan Atahan et al.   ChemistrySelect

Synthesis of 1,2,4-triazole-5-on derivatives and determination of carbonic anhydrase II isoenzyme inhibition effects

(2018) Safak Akin et al.   BIOORGANIC CHEMISTRY

1H-1,2,3-Triazolyl-substituted 1,3,4-oxadiazole derivatives containing structural features of ibuprofen/naproxen: Their synthesis and antibacterial evaluation

(2016) Papigani Neeraja et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Spectroscopic and molecular modeling studies on binding of dorzolamide to bovine and human carbonic anhydrase II

(2015) Nooshin Bijari et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures

(2015) Douglas E. V. Pires et al.   JOURNAL OF MEDICINAL CHEMISTRY

Anti-HIV Activity of New Substituted 1,3,4-Oxadiazole Derivatives and their Acyclic Nucleoside Analogues

(2015) Wael A. El-Sayed et al.   ZEITSCHRIFT FUR NATURFORSCHUNG SECTION C-A JOURNAL OF BIOSCIENCES

Prediction of the Biological Activity Spectra of Organic Compounds Using the Pass Online Web Resource

(2014) D. A. Filimonov et al.   Chemistry of Heterocyclic Compounds

Synthesis of novel 1-[5-(4-methoxy-phenyl)-[1,3,4]oxadiazol-2-yl]-piperazine derivatives and evaluation of their in vivo anticonvulsant activity

(2013) Kikkeri P. Harish et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Multiple Binding Modes of Inhibitors to Carbonic Anhydrases: How to Design Specific Drugs Targeting 15 Different Isoforms?

(2012) Vincenzo Alterio et al.   CHEMICAL REVIEWS

Inhibitory effect of novel pyrazole carboxamide derivatives on human carbonic anhydrase enzyme

(2012) Elvan Şen et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Lipase promiscuity and its biochemical applications

(2012) Manali Kapoor et al.   PROCESS BIOCHEMISTRY

Synthesis, antimicrobial, anticancer, antiviral evaluation and QSAR studies of 4-(1-aryl-2-oxo-1,2-dihydro-indol-3-ylideneamino)-N-substituted benzene sulfonamides

(2012) Mahesh Kumar et al.   Arabian Journal of Chemistry

Synthesis of novel sulfonamide-1,2,4-triazoles, 1,3,4-thiadiazoles and 1,3,4-oxadiazoles, as potential antibacterial and antifungal agents. Biological evaluation and conformational analysis studies

(2011) P. Zoumpoulakis et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Synthesis and biological evaluation of some new 2-pyrazolines bearing benzene sulfonamide moiety as potential anti-inflammatory and anti-cancer agents

(2011) Sameena Bano et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Fast docking using the CHARMM force field with EADock DSS

(2011) Aurélien Grosdidier et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

SwissDock, a protein-small molecule docking web service based on EADock DSS

(2011) A. Grosdidier et al.   NUCLEIC ACIDS RESEARCH

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Design, synthesis, antimicrobial activity and molecular modeling studies of novel benzofuroxan derivatives against Staphylococcus aureus

(2009) Salomão Dória Jorge et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Design, synthesis and anticancer evaluation of novel tetrahydroquinoline derivatives containing sulfonamide moiety

(2009) Mostafa M. Ghorab et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Aroylpropionic acid based 2,5-disubstituted-1,3,4-oxadiazoles: Synthesis and their anti-inflammatory and analgesic activities

(2008) Mymoona Akhter et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY