Synthesis, molecular modeling and bioactivity of new bis-thiazole, thiazole-pyrazole, and thiazole-pyridine analogues

Some Thiocyanate Containing Heterocyclic Compounds: Synthesis, Bioactivity and Molecular Docking Study

(2023) Zubeyda Israfilova et al.   ChemistrySelect

Bioactive heterocycles: Green synthesis and its anti-Alzheimer activity

(2023) Selvaraj Mohana Roopan et al.   Current Green Chemistry

Bioactivities of Triazolium‐Based N‐Heterocyclic Carbene Salts

(2023) Jia Song et al.   CHEMISTRY-A EUROPEAN JOURNAL

Synthesis, characterization, and DFT study of the s-triazine analogues of medicinal interest incorporated with five- and six-membered bioactive heterocyclic scaffolds

(2023) Sonia Zeba Hashmi et al.   JOURNAL OF MOLECULAR STRUCTURE

Anticancer evaluation and molecular docking of new pyridopyrazolo-triazine and pyridopyrazolo-triazole derivatives

(2023) Mohamed R. Elmorsy et al.   Scientific Reports

Conjugation as a Tool in Therapeutics: Role of Amino Acids/Peptides-Bioactive (Including Heterocycles) Hybrid Molecules in Treating Infectious Diseases

(2023) Rohith Gattu et al.   Antibiotics-Basel

Pharmacophore-based virtual screening, 3D QSAR, Docking, ADMET, and MD simulation studies: An in silico perspective for the identification of new potential HDAC3 inhibitors

(2023) Goverdhan Lanka et al.   COMPUTERS IN BIOLOGY AND MEDICINE

Synthesis of phenylthiourea-based pyrazole, thiazole and/or pyran compounds: molecular modeling and biological activity

(2023) Ahmad Fawzi Qarah et al.   Journal of Taibah University for Science

Imidazopyridine-Based Thiazole Derivatives as Potential Antidiabetic Agents: Synthesis, In Vitro Bioactivity, and In Silico Molecular Modeling Approach

(2023) Rafaqat Hussain et al.   Pharmaceuticals

Novel Thiazole-Based SIRT2 Inhibitors Discovered via Molecular Modelling Studies and Enzymatic Assays

(2023) Elena Abbotto et al.   Pharmaceuticals

The importance of sulfur-containing motifs in drug design and discovery

(2022) Muhamad Mustafa et al.   Expert Opinion on Drug Discovery

Synthesis, Antimicrobial Evaluation, and Molecular Docking of New Azole, Azine, Thiazole, and Chromene Derivatives

(2022) Ahmed A. Fadda et al.   POLYCYCLIC AROMATIC COMPOUNDS

Quantum study on the optoelectronic properties and chemical reactivity of phenoxazine-based organic photosensitizer for solar cell purposes

(2022) Samson Olusegun Afolabi et al.   THEORETICAL CHEMISTRY ACCOUNTS

Identification of potent inhibitors of NEK7 protein using a comprehensive computational approach

(2022) Mubashir Aziz et al.   Scientific Reports

Molecular modeling and docking of new 2-acetamidothiazole-based compounds as antioxidant agents

(2022) Sraa Abu-Melha   Journal of Saudi Chemical Society

Design, Synthesis, Anticancer Activity and Docking Studies of Thiazole Linked Phenylsulfone Moiety as Cyclin-Dependent Kinase 2 (CDK2) Inhibitors

(2022) Thoraya A. Farghaly et al.   POLYCYCLIC AROMATIC COMPOUNDS

Nitrobenzamido substitution on thiophene-3-carboxylate: Electrochemical investigation, antioxidant activity, molecular docking, DFT calculations

(2022) Goncagul Serdaroğlu et al.   JOURNAL OF MOLECULAR STRUCTURE

Pyrazole Scaffold Synthesis, Functionalization, and Applications in Alzheimer’s Disease and Parkinson’s Disease Treatment (2011–2020)

(2021) Xuefei Li et al.   MOLECULES

Synthesis and Antibacterial Activity of New Imidazo[1,2-a]pyridines Festooned with Pyridine, Thiazole or Pyrazole Moiety

(2021) Ismail Althagafi et al.   POLYCYCLIC AROMATIC COMPOUNDS

Recent advances on heterocyclic compounds with antiviral properties

(2021) Aramita De et al.   Chemistry of Heterocyclic Compounds

Modification of carboxymethyl inulin with heterocyclic compounds: Synthesis, characterization, antioxidant and antifungal activities

(2021) Yingqi Mi et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Theoretical investigation of nonlinear optical behavior for rod and T-Shaped phenothiazine based D-π-A organic compounds and their derivatives

(2021) Muhammad Usman Khan et al.   Journal of Saudi Chemical Society

Synthesis and characterization of novel thiazole derivatives as potential anticancer agents: Molecular docking and DFT studies

(2021) R. Raveesha et al.   Computational Toxicology

Tyrosine–Chlorambucil Conjugates Facilitate Cellular Uptake through L-Type Amino Acid Transporter 1 (LAT1) in Human Breast Cancer Cell Line MCF-7

(2020) Piman Pocasap et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Synthesis and antiproliferative activity studies of new functionalized pyridine linked thiazole derivatives

(2020) Alaa M. Alqahtani et al.   Arabian Journal of Chemistry

Multi-target compounds acting in cancer progression: Focus on thiosemicarbazone, thiazole and thiazolidinone analogues

(2019) Lucianna Rabelo Pessoa de Siqueira et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Synthesis of New 1,3,4-Oxadiazole-benzimidazole Derivatives as Potential Antioxidants and Breast Cancer Inhibitors with Apoptosis Inducing Activity

(2019) E. A. Abd El-Meguid et al.   RUSSIAN JOURNAL OF GENERAL CHEMISTRY

Design, computational studies, synthesis and biological evaluation of thiazole-based molecules as anticancer agents

(2019) Anuradha et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

Morpholine as a privileged structure: A review on the medicinal chemistry and pharmacological activity of morpholine containing bioactive molecules

(2019) Angeliki P. Kourounakis et al.   MEDICINAL RESEARCH REVIEWS

Experimental and DFT insights into molecular structure and optical properties of new chalcones as promising photosensitizers towards solar cell applications

(2018) Mohamed M. Makhlouf et al.   APPLIED SURFACE SCIENCE

Thiazolidinediones as antidiabetic agents: A critical review

(2018) M.J. Nanjan et al.   BIOORGANIC CHEMISTRY

The benefits of in silico modeling to identify possible small-molecule drugs and their off-target interactions

(2018) Mire Zloh et al.   Future Medicinal Chemistry

Synthesis and characterization of new complexes of nickel (II), palladium (II) and platinum(II) with derived sulfonamide ligand: Structure, DFT study, antibacterial and cytotoxicity activities

(2018) Afaf Bouchoucha et al.   JOURNAL OF MOLECULAR STRUCTURE

A new schiff base derivative as an effective corrosion inhibitor for mild steel in acidic media: Experimental and computer simulations studies

(2018) M. Messali et al.   JOURNAL OF MOLECULAR STRUCTURE

A comprehensive review of protein kinase inhibitors for cancer therapy

(2018) Radhamani Kannaiyan et al.   Expert Review of Anticancer Therapy

Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity

(2016) Luis Domingo et al.   MOLECULES

Design and synthesis of novel 2-(indol-5-yl)thiazole derivatives as xanthine oxidase inhibitors

(2015) Jeong Uk Song et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

A comprehensive review in current developments of benzothiazole-based molecules in medicinal chemistry

(2015) Rangappa S. Keri et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Heterocyclic Anticancer Compounds: Recent Advances and the Paradigm Shift towards the Use of Nanomedicine’s Tool Box

(2015) Pedro Martins et al.   MOLECULES

NBO, conformational, NLO, HOMO–LUMO, NMR and electronic spectral study on 1-phenyl-1-propanol by quantum computational methods

(2015) S. Xavier et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Theoretical evaluation of corrosion inhibition performance of three antipyrine compounds

(2015) Hongfu Mi et al.   Computational and Theoretical Chemistry

Ultrasound-assisted one-pot four-component synthesis of novel 2-amino-3-cyanopyridine derivatives bearing 5-imidazopyrazole scaffold and their biological broadcast

(2014) Piyush N. Kalaria et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

N-(4-Sulfamoylphenyl)acetamide

(2012) Abdullah M. Asiri et al.   ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE

DFT theoretical study of 7-R-3methylquinoxalin-2(1H)-thiones (RH; CH3; Cl) as corrosion inhibitors in hydrochloric acid

(2012) Z. El Adnani et al.   CORROSION SCIENCE

Pyridostatin analogues promote telomere dysfunction and long-term growth inhibition in human cancer cells

(2012) Sebastian Müller et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Vibrational spectroscopic (FT-IR, FT-Raman, 1H NMR and UV) investigations and computational study of 5-nitro-2-(4-nitrobenzyl) benzoxazole

(2012) J.B. Bhagyasree et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Predicting the free radical scavenging activity of curcumin derivatives

(2011) Apilak Worachartcheewan et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Natural bond orbital analysis, electronic structure, non-linear properties and vibrational spectral analysis of l-histidinium bromide monohydrate: A density functional theory

(2011) D. Sajan et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Recent advances in the design and synthesis of heterocycles as anti-tubercular agents

(2010) Prem MS Chauhan et al.   Future Medicinal Chemistry

Structural, vibrational and theoretical studies of l-histidine bromide

(2008) A. Ben Ahmed et al.   JOURNAL OF MOLECULAR STRUCTURE

Structure, stability, dipole polarizability and differential polarizability in small gallium arsenide clusters from all-electronab initioand density-functional-theory calculations

(2008) Panaghiotis Karamanis et al.   PHYSICAL REVIEW A

Molecular structure, spectroscopic studies and first-order molecular hyperpolarizabilities of p-amino acetanilide

(2008) Jose P. Abraham et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY