| SYNTHESIS OF NOVEL HYDRAZIDE–HYDRAZONE COMPOUNDS AND IN VITRO AND IN SILICO INVESTIGATION OF THEIR BIOLOGICAL ACTIVITIES AGAINST ACHE, BCHE, AND HCA I AND II |
2024 |
ACS OMEGA |
| ARE TERMINAL ALKYNES NECESSARY FOR MAO-A/MAO-B INHIBITION? A NEW SCAFFOLD IS REVEALED |
2024 |
MOLECULES |
| THE SUPPRESSIVE EFFECT OF NOVEL HYDRAZONES‐TETHERED IMIDAZOLES IN HCT‐116 AND HT‐29 COLORECTAL CANCER CELLS: SYNTHESIS, BIOLOGICAL ACTIVITY AND MOLECULAR MODELING STUDIES |
2024 |
CHEMISTRYSELECT |
| UTILIZING HETEROATOM TYPES AND NUMBERS FROM EXTENSIVE LIGAND LIBRARIES TO DEVELOP NOVEL HERG BLOCKER QSAR MODELS USING MACHINE LEARNING-BASED CLASSIFIERS |
2023 |
ACS OMEGA |
| SYNTHESIS, CHARACTERIZATION, ANTI-TUBERCULOSIS ACTIVITY AND MOLECULAR MODELING STUDIES OF THIOUREA DERIVATIVES BEARING AMINOGUANIDINE MOIETY |
2022 |
JOURNAL OF MOLECULAR STRUCTURE |
| SYNTHESIS, CHARACTERIZATION, BIOLOGICAL ACTIVITY AND MOLECULAR MODELING STUDIES OF NOVEL AMINOGUANIDINE DERIVATIVES |
2022 |
CHEMISTRYSELECT |
| IDENTIFYING HIGHLY EFFECTIVE COUMARIN-BASED NOVEL CHOLINESTERASE INHIBITORS BY IN SILICO AND IN VITRO STUDIES |
2022 |
JOURNAL OF MOLECULAR GRAPHICS AND MODELLING |
| QUANTITATIVE BIOACTIVITY PREDICTION AND PHARMACOPHORE IDENTIFICATION FOR BENZOTRIAZINES DERIVATIVES USING ELECTRON CONFORMATIONAL GENETIC ALGORITHM IN QSAR |
2011 |
SAR AND QSAR IN ENVIRONMENTAL RESEARCH |
| APPLICATION OF ELECTRON CONFORMATIONAL GENETIC ALGORITHM APPROACH TO 1 4 DIHYDROPYRIDINES AS CALCIUM CHANNEL ANTAGONISTS PHARMACOPHORE İDENTIFICATION AND BIOACTIVITY PREDICTION |
2011 |
JOURNAL OF MOLECULAR MODELING |
| 4D-QSAR ANALYSIS AND PHARMACOPHORE MODELING: ELECTRON CONFORMATIONAL-GENETIC ALGORITHM APPROACH FOR PENICILLINS |
2011 |
BIOORGANIC & MEDICINAL CHEMISTRY |
| PHARMACOPHORE IDENTIFICATION AND BIOACTIVITY PREDICTION FOR TRIAMINOTRIAZINE DERIVATIVES BY ELECTRON CONFORMATIONAL GENETIC ALGORITHM QSAR METHOD |
2010 |
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY |
| IN SILICO IDENTIFICATION OF ANGIOTENSIN-1 CONVERTING ENZYME INHIBITORS USING TEXT MINING AND VIRTUAL SCREENING |
2020 |
JOURNAL OF BIOMOLECULAR STRUCTURE AND DYNAMICS |
| NOVEL ACHE AND BCHE INHIBITORS USING COMBINED VIRTUAL SCREENING, TEXT MINING AND IN VITRO BINDING ASSAYS |
2019 |
JOURNAL OF BIOMOLECULAR STRUCTURE AND DYNAMICS |
| INVESTIGATION OF NOVEL INDOLE-BASED HIV-1 PROTEASE INHIBITORS USING VIRTUAL SCREENING AND TEXT MINING |
2020 |
JOURNAL OF BIOMOLECULAR STRUCTURE AND DYNAMICS |
| IN VITRO AND IN SILICO STUDIES OF NITROBENZAMIDE DERIVATIVES AS POTENTIAL ANTI-NEUROINFLAMMATORY AGENTS |
2019 |
JOURNAL OF BIOMOLECULAR STRUCTURE AND DYNAMICS |
| IDENTIFYING NEW PIPERAZINE-BASED PARP1 INHIBITORS USING TEXT MINING AND INTEGRATED MOLECULAR MODELING APPROACHES |
2020 |
JOURNAL OF BIOMOLECULAR STRUCTURE AND DYNAMICS |
| A NOVEL HYBRID METHOD NAMED ELECTRON CONFORMATIONAL GENETIC ALGORITHM AS A 4D QSAR INVESTIGATION TO CALCULATE THE BIOLOGICAL ACTIVITY OF THE TETRAHYDRODIBENZAZOSINES |
2020 |
JOURNAL OF COMPUTATIONAL CHEMISTRY |
| DESIGN, SYNTHESIS, AND MOLECULAR MODELING STUDIES OF NOVEL COUMARIN CARBOXAMIDE DERIVATIVES AS EEF-2K INHIBITORS |
2020 |
JOURNAL OF CHEMICAL INFORMATION AND MODELING |
| STRUCTURAL MODIFICATION OF ELLIPTICINE DERIVATIVES WITH ALKYL GROUPS OF VARYING LENGTH IS INFLUENTIAL ON THEIR EFFECTS ON HUMAN DNA TOPOISOMERASE II: A COMBINED EXPERIMENTAL AND COMPUTATIONAL STUDY |
2019 |
MEDICINAL CHEMISTRY RESEARCH |
| SCREENING OF CLINICALLY APPROVED AND INVESTIGATION DRUGS AS POTENTIAL INHIBITORS OF SARS-COV-2: A COMBINED IN SILICO AND IN VITRO STUDY |
2021 |
MOLECULAR INFORMATICS |
| NEAR-PHYSIOLOGICAL-TEMPERATURE SERIAL CRYSTALLOGRAPHY REVEALS CONFORMATIONS OF SARS-COV-2 MAIN PROTEASE ACTIVE SITE FOR IMPROVED DRUG REPURPOSING |
2021 |
STRUCTURE |
| COMBINED 4D-QSAR AND TARGET-BASED APPROACHES FOR THE DETERMINATION OF BIOACTIVE ISATIN DERIVATIVES |
2021 |
SAR AND QSAR IN ENVIRONMENTAL RESEARCH |
