Ghulam Abbas at Karlsruhe Institute of Technology - Research Interests, Publications & Academic Profile

Ghulam Abbas

Karlsruhe Institute of Technology

Germany

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Research Interests

Organic Chemistry

100%

Pharmaceutical Chemistry

100%

Molecular Modeling

70%

Solvent Science

70%

Stereochemistry

70%

Chemical Biology

50%

Computational Chemistry

50%

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Articles20

Solvents (Polar and non-polar) molecular interaction, antibonding & nonbonding, thermodynamic and MD simulation analysis on 1-(4-Aminophenyl)-4-(4-methoxyphenyl) piperazine − Antipsychotic drug

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Year:

2024

Solute solvent interaction study on 9,9-dihydroxynanoic acid by DFT, IR, Raman, UV, MEP, quantum parameters and docking studies

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Year:

2024

In-situ synthesis of dinuclear Iron (III) complex; Crystal structure, DFT calculations, Hirshfield surface analysis, and molecular docking

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Year:

2024

In-situ synthesis of dinuclear Iron (III) complex; Crystal structure, DFT calculations, Hirshfield surface analysis, and molecular docking

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Year:

2024

Computational study of electronic excitations properties in solvents, molecular interaction energies, topological and biological properties of Ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate

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Year:

2024

Utilizing the IEFPCM examination on 4-Carboxy Acetanilide Benzoic acid, molecular docking molecular structure, electronic, structural and topological investigations were performed using solvents (water, benzene, acetone, and DMSO)

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Year:

2024

Synthesis, crystal structure, static and dynamic properties, molecular structure, reactive sites, wavefunction and molecular docking of 1-(3-((4-(diethylamino)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one

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Year:

2023

Synthesis, functional group analysis (experimental and theoretical), solvent –Solute interactions, structural insights of (E)-3-(4-chloro-3-(trifluoromethyl) phenyl) imino) indolin-2-one–In-vitro Antimicrobial activity

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Year:

2023

Synthesis, molecular structure, experimental and theoretical characterization of 3-((2-(2,4-dinitrophenyl) hydrazone) methyl) pyridine- Carcinopreventive activity (in silico and in vitro investigation)

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Year:

2023

Experimental, computational investigations and biological evaluation on 1-(3-acetamidophenyl)-5-mercaptotetrazole-cytotoxicity MTT assay

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Year:

2023

Molecular structure, electronic, structural, topological analyses with solvents (water, chloroform, acetone and benzene) based on IEFPCM investigation and Hirshfeld analysis on 2-acetyl pyridine

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Year:

2023

Comparison of experimental and theoretical spectral groups, electronic properties, topological, and molecular docking investigations of 1-N-Cbz-piperidine-4-carboxylic acid- Potential Cancer drug

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Year:

2023

Synthesis, DFT, solvent effect and biological attributes of NLO active 4-bromo-2-((2-(2,4-Dinitrophenyl) hydrazono)methyl) phenol -Potent drug anti-brain cancer

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Year:

2023

Effect of different solvent role, intermolecular forces, allergies and inflammations receptors (H1R & GPCRs) interactions of (2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy] ethyl}-1-ethylpyrrolidine

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Year:

2023

Effect of different solvents, molecular level vibrational energies, electronic, electrostatic, donar-acceptor and pharmaceutical studies on 3-methoxy phenyl acetonitrile- anti depressant agent

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Year:

2023

Solvent impact on electronic, photochemical, molecular structure, topology studies, and the antihistamine activity of 2-(2-Benzylphenoxy)-N,N-dimethylethanamine

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Year:

2023

Computational studies into the chemical nature, thermal behaviour, solvent role, reactivity and biological evaluation of Rigidin E – A marine alkaloid with potent liver cancer inhibition

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Year:

2023

Molecular structure solvent–solute, electronic, topology and dynamics simulation studies on 2-[[1-(cyclopropyl methoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl] amino] acetic acid- an effective CKD drug

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Year:

2023

Potential energy surface, effect of solvents in molecular level, experimental spectra (FTIR, Raman, UV–visible & NMR), electronic, and dynamics simulation of isobavachalcone –Anti tuberculosis agent

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Year:

2023

Solvents performance, experimental spectral energies interactions, excitations energies, topological and electrophilic molecular interaction studies on 4?-(bromomethyl)-[1,1?-biphenyl]-2-carbonitrile- antiphobic disorder agent

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Year:

2023

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