OOIR: Observatory of International Research

Papers

(The median citation count of Polycyclic Aromatic Compounds is 3. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2022-01-01 to 2026-01-01.)

Article	Citations
Structural, Spectroscopic, Cytotoxicity and Molecular Docking Studies of Charge Transfer Salt: 4-Aminiumantipyrine Salicylate	101
Baker’s Yeast Promoted Facile Synthesis of Spirooxadiazepines Using Multicomponent Reactions of Ninhydrin: Investigation of Biological Activity	53
Solubility and Antioxidant Activity of 1,2-Dihydro-2-Methyl-2-Phenyl-3H-Indole-3-One-1-Oxyl Hosted at Randomly Methylated-Βétacyclodextrin: A Computational Investigation	46
Synthesis and Insecticidal Activity of Novel Trifluoromethylbenzimidazole Linked N -Phenylamide Compounds	45
A New Azomethine Chemosensor for Naked-Eye Detection of CN ⁻ and AcOˉ: Application to Determination of Cyanide in Some Agro-Products and Poisoned Human Blood Samples	44
Metals Removal from Contaminated Aqueous Medium by Using Modified Cellulose-N(4)-Antipyrinyl Thiosemicarbazide	43
Biodegradation of Phenanthrene Polluted Soil through Native Strains in the Darkhouvin Oil Field	42
Synthesis of 1,2,4-Triazole Derivatives via 1,3-Benzothiazole-2,5-Diamine Supported on Nanocellulose as Novel Recyclable Nano Catalyst	42
Probing and Evaluating the Anion Binding Studies in Novel Coumarin Based Strapped Calix[4]Pyrrole	39
Synthesis and Characterization of a Novel and Reusable Adenine Based Acidic Nanomagnetic Catalyst and Its Application in the Preparation of 2-Substituted-2,3-dihydro -1H-perimidines under Ultra	38
Synthesis, Characterization and Study of E/Z Isomerization in 3-(2-(2,4-Dimethylphenyl) Hydrazono)-6-Fluoroquinolin-(1 H , 3 H )-2, 4-Dion	38
Design, Synthesis, Biological Evaluation of New Porphyrin and Metalloporphyrin Derivatives	37
An Efficient Synthesis of 1, 3-Oxazine Derivatives Catalyzed under Ceric Ammonium Nitrate in an Aqueous Medium at Ambient Temperature	35
Design, Synthesis of Some Innovative Indolo[3,2- c ]Isoquinoline-5-One Analogs and Associated Bioactivities, Pharmacophore, Molecular Docking, MEP, and Conceptual DFT St	35
Synthesis and Application of Novel Magnetic Glycoluril Tetrakis(Methylene Phosphorous Acid) as a Nano Biological Catalyst for the Preparation of Nicotinonitriles via a C	35
Solvent-Free Green Synthesis of New Isoquinazoline Derivatives Using Three Component Reactions of Isothiocyanates	34
Use of a New Natural Deep Eutectic Mixture for the Acceleration of Some of the Important Multi-Component Reactions	34
Catalyst-Free Synthesis of p -Tolylimino-2 H -Chromen-2-One Derivatives at Room Temperature	33
Synthesis of New 2-(4-(1,4-Dihydropyridin-4-yl)Phenoxy)-N-Arylacetamides and Their Heterocyclic-Fused Derivatives via Hantzsch-Like Reaction	33
Experimental Spectroscopic, Structural (Monomer and Dimer), Molecular Docking, Molecular Dynamics Simulation and Hirshfeld Surface Analysis of 2-Amino-6-Methylpyridine	32
Fabrication of Copper(II)-coated Magnetic Core-shell Nanoparticles an Engineered Nano-magnetic Catalyst for the Synthesis of Pyrano Pyrazole and Pyrazole Derivatives	32
Design, Synthesis, Biological Evaluation and In-Silico Investigation, Molecular Docking, Molecular Dynamics Simulations, and ADMET Profiling of Novel Thi	32
Syntheses and Molecular Docking Analysis of Some New Thiazole and Thiazine Derivatives as Three Armed Molecules with a Triazine Ring as a Core Component: A Search for anti-Obesity Agents	32
Spectroscopic Characterization, Quantum Chemical and Molecular Docking Studies on 1-Chloroanthraquinone: A Novel Oral Squamous Cell Carcinoma Drug	32
Molecular Engineering of Indacenodifuran-Based Non-Fullerene Acceptors for Efficient Organic Solar Cells	31

Polycyclic Aromatic Bioactive Compounds from Eclipta Alba and Its Anticancer Potential against Breast Cancer Target Proteins: An Antibreast Cancer Intervention through	30
The Synthesis of Polysubstituted Amino Pyrazoles Using Nano-[Zn-4NSP]Cl₂ as a New Schiff Base Complex and Catalyst	30
Ultrasonic-Assisted Synthesis and Quantum Chemical Analysis of Spiro[Indoline-3,3′-Pyrazol]-2-One Derivatives as Effective Bactericidal and Viricidal Agents	29
Steglich’s Base Catalyzed Three-Component Synthesis of Isoxazol-5-Ones	27
Recent Advancements in Microwave Assisted Synthesis of Pyrazole Analogues: An Ecological Synthetic Approach	27
Synthesis, α-Glucosidase Inhibition, Anticancer, DFT and Molecular Docking Investigations of Pyrazole Hydrazone Derivatives	27
FeCl ₃ -Catalyzed Synthesis of Symmetrical Pyridines from Ketoxime Acetates Using DMFDMA as an Effective C1 Synthon	27
Synthesis, Biological Evaluation, and Molecular Docking Investigation of New Series of Azoimino-Sulfathiazole (AIST) Derivatives	27
Green Synthesis of Functionalized Thiazolo[3,2-a]Pyrimidines Using Choline Chloride/Pentaerythritol as a Green Solvent: Biological Activity Evaluation	26
Finding the Best Proposed Mechanism for Ugi Multi-Component Reaction by DFT Study	26
The Computational Study, 3D-QSAR, and Molecular Docking Study of 2-Amino 5-Methyl Pyridine	26
Novel Dinitrophenylhydrazones Containing 1,2,3-Triazole Nucleus as Disperse Dyes for Polyester Fabric Dyeing and Functional Finishing and Antibacterial Activities	26
Synthesis, Antimicrobial Evaluation, and Docking Studies of Substituted New Chromone Linked 1,2,3-Triazoles	25
Synthesis, Characterization, DFT Analysis, Biological Evaluation, and Molecular Docking of Schiff Base Derived from Isatin–Isoniazid and Its Metal (II) Complexes	24
Synthesis, Antioxidant and Antimicrobial Activity of Calix[4]Arene Acetanilide Derivative	24
Topological Co-Indices of Molecular Structure of Porphyrazine Network	24
Imidazo[4′,5′:3,4]Benzo[1,2- e ][1,4]Diazepins as New Heterocyclic Systems: Synthesis, Characterization and Their in Vitro Interactions with Benzodiazepine Receptors	23
A Comparative Study: Domination Parameters and Physico-Chemical Properties of Benzenoid Hydrocarbons	23
One Pot Synthesis of Thiopyrimidine Derivatives from Lignin Reproductions by Microwave-Assisted Ultrasonic Microscopy with DFT Description for Clarifying the Mass Spectrum	23
Tri-vanadium Substituted Dawson-type Heteropolytungstate Nanocomposite (g-C ₃ N ₄ /Fe ₃ O	23
Crystal Growth, Structural Elucidation, Chemical Reactivity, Topology Exploration (ELF, LOL, AIM, RDG) and NLO Activity of 4-Cumyl Phenol Crystal Using Quantum Chemical Calculation	23
Experimental and Computational Study on the Spectroscopic Approach, Hyperpolarizabilities, NBO Analysis, ADMET Studies, and In-Silico Ligand-Protein Docking of 2,4,6-Trifluoro-5-Chloro Pyrimidine	22
Ultrasound Assisted One-Pot Three-Component Reaction for Synthesis of Novel Functionalized 4-Thioxo-Pyrano[2,3-c]Pyrazoles, 5-Thioxo-Pyrano[2,3-d]Pyrimidines and 5-Thioxo-Pyrido[2,3-d]Pyrimidines Cata	21
DTP/SiO₂ Assisted Synthesis of New Benzimidazole-Thiazole Conjugates Targeting Antitubercular and Antioxidant Activities	21
Novel Small Molecule Derived from Hydroxy Naphthaldhyde as Potential Anti-Leukemia Agents: Spectroscopic, DFT, Docking Molecular and ADME/T Investigations	21
A Sonochemical Access to 5-Aryl Substituted Pyrazolo[1,5-a]Pyrimidines as Potential Inhibitors of TNF-α	21
Triethylammonium Hydrogen Sulfate Ionic Liquid-Assisted Highly Efficient Synthesis of Bis(indoyl)methanes	21
Structural, Quantum Chemical, Spectroscopic (UV, FT-IR, FT-Raman and NMR) and Molecular Docking Studies of Diphenylpyraline Hydrochloride as Antihistaminic Drug	21
DNA Binding and Anticancer Activity of Tetrazole-Based Schiff Bases and Their Platinum (II) Complexes via In Vitro and In Silico	20
Polycyclic Aromatic Hydrocarbons in Surface Waters from India: Possible Sources and Risk Assessment	19
Computing Degree-Based Topological Descriptors of Certain Tessellations of Kekulenes Using M-Polynomial and Neighborhood M-Polynomial	19
Theoretical Analysis of the Properties of Monocarbonyl Curcumin Analogs	19
Introduction of an Efficient Protocol for the Synthesis of Some of the Pyrimidine Derivatives under Solvent-Free Conditions	19
On the Number of Matchings of Two Classes of Silicate Molecular Graphs	19
Design, Synthesis, Molecular Docking, ADME/Tox Predictions and DFT Study of Quinazolinone-1,2,4-Triazole Analogues as Promising Antimicrobial Agents	19
Design, Synthesis, Drug-Likeness, anti-Inflammatory, Antimicrobial Activity, and Molecular Docking Studies of Pyrimidine Analogs	19
Quantum Chemical Analysis and Effect of Super Alkali/Super Halogen Doping on the Opto-Electronic Properties of L-Lysine p-Nitrophenolatemonohydrate (LLPNP) Using First Principle	19
Health Risk Assessment of Polycyclic Aromatic Hydrocarbons from Cooking Fuels burning in Nigeria	18
Effect of Amino, Chloro, and Methyl Functional Groups on 4-(4-Hydroxyphenyl) Piperazine by Density Functional Theory and Molecular Docking Studies	18
Development of a New Manufacturing Route for Benzoylphenylureas and Their Key Intermediates	17
Synthesis of Novel Benzoxazole Derivatives: Exploration of Their Possible Pharmacological Profiles with Computational Studies	17
In Silico Study of Selected Natural Products as SARS-CoV-2 M^ProBinder: Molecular Docking and Molecular Dynamics Simulation	17
Isolation of Secondary Metabolites from Pulicaria gnaphalodes (Vent.) Boiss. and Evaluation of Their anti-Proliferative Activity	17
Facile Synthesis and Antioxidant Activity Screening of Some Novel 3-Substituted Indole Derivatives	17
Molecular Modelling of Aromatic Interactions between Pyrene Derivatives and Carbon Nanotubes: Materials for Biomedical Applications	17
Magnetic MCR-Functionalized Graphene Oxide Complexed with Copper Nano-Particles: An Efficient and Recyclable Nanocatalyst for Ullmann C–N Coupling Reaction	17
One-Pot Three Component Synthesis of Quinazolin-4(3 H )-One Derivatives: Investigation of Photophysical Properties and FRET Application toward Protein Lysozyme	16
An Agro-Waste Catalyzed Facile Synthesis of 1 H- Pyrazolo[1,2-b]Phthalazine-5,10-Dione Derivatives: Evaluation of Antioxidant and Electrochemical Studies	16
Synthesis, Spectroscopic (FTIR, FT-Raman and UV-Vis), Structural Investigation, Hirshfeld, AIM, NBO, Chemical Reactivity, In-Vitro and In-Silico Analysis of N-(2-Hydroxyphenyl)-4-Toluenesulfonamide	16
Synthesis and Biological Activity Investigation of New Oxazolopyrimidoazepine Derivatives: Application of Ag/Fe ₃ O ₄ /TiO	15

NiFe ₂ O ₄ Nanoparticles: An Efficient Catalyst for One-Pot Three Component Synthesis of Acridinediones Derivatives	15
Molecular Investigations of Novel Pyrano[2,3-c]Pyrazole Congeners as Potential HCoV-229E Inhibitors: synthesis, Molecular Modeling, 3D QSAR, and ADMET Screening	15
In-silico Study of Molecular Docking and Dynamics Simulations for N-Substituted Thiazolidinones Derived from (R)-Carvone Targeting PPAR-γ Protein: Synthesis and Characterization	15
Synthesis of 4 H -3,1-Benzothiazin-4-Ones via C-N/C-S Bond Forming Reactions	15
Halloysite Nanotube Modified (CuO@HNTs-SO ₃ H) Novel Heterogeneous Catalyst for One-Pot Synthesis of Tetrahydrobenzo[ ɑ ]Xanthen-11-On	15
Spectral Characteristics, DFT Exploration, Electronic Properties, Molecular Docking and Biological Activity of 2E-1-(3-Bromothiophene-2-yl)-3-(1, 3-Benzodioxol-5-yl)Prop-2-en-1-One Molecule	15
Construction and Characterization of Fe ₃ O ₄ -Bis[Imine-Pyridine]-Cu(OAc) ₂ Nanocomposite: A N	14
Impact of π-Linkers Modifications on Tuning Nonlinear Optical Amplitudes of Pyridoquinazolinone-Based Aromatic Dyes: A Rational Entry to Novel D-π-A NLO Materials	14
Synthesis, Cytotoxicity, Antioxidant Activity, DFT Calculations, and Docking Studies of New Pyridine-Malonate Derivatives as Potential Anticancer Agents	14
The Effects of Conjugated Fused Ring System: An Investigation of Electronic, Nonlinear Optical, X-Ray Structural Properties and Computational Studies on Chalcone Derivatives	14
Wittig Synthesis, Optical Properties and Electrochemical Behaviors of Some Conjugated Derivatives of 4-Pyrones	14
Design and Synthesis of Some New N -(Thiazol-2-yl) Benzamides of Quinoxaline as DNA Topoisomerase II Targeting Anticancer Agents and ADMET	14
Diastereo- and π-Facially Selective Hetero-Diels Alder Cycloaddition Reactions of 3-Butadienyl-2-Azetidinones with Diazo-Dienophiles	14
Barrier Potential, Structure (Monomer and Dimer), Inter- and Intra-Molecular Interactions, Vibrational Analysis, Fukui Functions, MESP, NBO, UV and NMR Analysis of Pyridine-3-Carboxylic Acid Using Spe	14
Mg _x Cu _0.3 Zn _0.7-x La _y Fe _2-y	14
A Novel Phenoxyquinoline-Pyrimidine Hybrids: Synthesis, In Silico ADME Studies, Molecular Docking and in Vitro Cytotoxic Activity	14
Measuring Irregularities in the Chemical Compound: Porous Graphene	14
Synthesis, Biochemical Characterization, and in-Silico Investigations of Acyl-3-(Ciprofloxacinyl) Thioureas as Inhibitors of Carbonic Anhydrase-II	14
Synthesis, Antibacterial, Anti-Biofilm Properties, and Docking Study of Indeno[1,2-b]Pyridin-5-One Derivatives	14
Study of Thermodynamic and Dielectric Parameters of Xylene and Its Isomers Using Time Domain Dielectric Spectroscopy	14
Naphthalene-Degrading Bacteria with Potential for Remediating Marine Environments	13
Exploration of Non Covalent Interactions, Structural, Vibrational, Chemical Reactivity and NLO Properties of 1, 2-Diphenyl-2-Methoxyethanone Oxime: A Theoretical Approach	13
Sustainable and Bio-Based Catalysts for Multicomponent Organic Synthesis: An Overview	13
On Analysis of Topological Aspects of Entropy Measures for Polyphenylene Structure	13
Synthesis of 2-Aryl-7-Methyl-1-Phenyl-4-Thioxo-1,4-Dihydro-Pyrano[4,3-d]Pyrimidin-5-One via a Three-Component Condensation	13
Protective Effect of Resveratrol Against Non-Small Cell Lung Cancer: In-Vitro and In-Silico Studies	13
Coumarin-Maleimide Hybrids: Design, Synthesis, Cytotoxic Activities, and Molecular Docking	13
Tetrabutylammonium-salt, a novel ionic medium for the synthesis of quinoline–hybrid chalcones, and its biological evaluation	13
Synthesis and Biological Assessment of New Nucleosides of Pyrido[2,3-d]pyrimidine Derivatives Bearing Ribose and 2-Deoxyribose Moieties	13
Fe₃O₄@SP@Chitosan@Fe₃O₄ Nanocomposite: A Catalyst with Double Magnetite Parts for Sustainable Synthesis of Novel Azo-Linked 4-Benzylidene-2-Phenyloxazol-5-O	13
Cs₂CO₃-Promoted [3 + 2] Cyclization of Chalcone and N-Tosylhydrazone	13
Utility of Pyrimidine Thione Derivatives in the Synthesis of Biologically Active Heterocyclic Compounds	13
X-Ray Crystallography, Spectral Analysis, DFT Studies, and Molecular Docking of (C ₉ H ₁₅ N ₃ )	13
Synthesis, Biological Evaluation, and Computational Studies of 6-Fluoro-3-(Piperidin-4-yl)-1,2-Benzisoxazole Sulfonamide Conjugates	13
COMMENTS ON “S-(+) Camphorsulfonic Acid Glycine (CSAG) as Surfactant-Likes Brønsted Acidic Ionic Liquid for One-Pot Synthesis of β-Amino Carbonyl”	13
Synthesis, Spectroscopic Characterization, DFT, and Molecular Docking Analysis of Some Salicylideneaniline Schiff Base Derivatives as Potential Antioxidant Compounds	13
Quinoline–1,3,4-Oxadiazole Conjugates: Synthesis, Anticancer Evaluation, and Molecular Modelling Studies	12
Synthesis and Antimicrobial Activity of New Carbohydrazide Bearing Quinoline Scaffolds in Silico ADMET and Molecular Docking Studies	12
Antioxidant Capacity of Caffeic Acid Phenethyl Ester in Scavenging Free Radicals by a Computational Insight	12
The Edge-Hyper-Wiener Index of Zigzag Single-Walled Nanotubes	12
In Vitro and in Vivo Anti diabetics Study of New Oxadiazole Derivatives Along with Molecular Docking Study	12
Green Synthesis of Novel Benzo[a][1,3]Oxazino[6,5-c]Phenazin-3-One Derivatives Under Solvent-Free Conditions Using Acetic Acid as an Efficient Catalyst via Microwave Irradiation	12
Synthesis, Spectroscopic Analysis, Molecular Docking, Molecular Dynamics Simulation of 5-(Adamantan-1-yl)-4-(3-Chlorophenyl)-2,4-Dihydro-3 H -1,2,4-Triazole-3-Thione, a	12
Synthesis, Computational, Antimicrobial, Antioxidant, and ADME Study of 2-(3,4-Dimethoxyphenyl)-4 H -Chromen-4-One	12
Synthesis, Anticancer Activity, ADMET, DFT, Molecular Docking and Molecular Dynamics Study of Pyrazole-Incorporated Monocarbonyl Curcumin Analogues	12
An Efficient One-Pot and Regioselective Synthesis of Novel Heterocyclic Systems of 5,6-Dihydrobenzo[b]Pyrimido[5,4-f][1,4]Oxazepine	12
New Chromone-Thiazolopyrimidine Hybrids as Potent TNF-α, IL-6 and PGE2 Inhibitors: Synthesis, Anti-Inflammatory Evaluation and Molecular Modeling Studies	12
Green and Efficient Synthesis of Novel Polysubstituted 2-Pyrrolidinones under Catalyst and Solvent-Free Conditions	12
Molecular Structure, Spectroscopic Elucidation (FT-IR, FT-Raman, UV-Visible and NMR) with NBO, ELF, LOL, RDG, Fukui, Drug Likeness and Molecular Docking Analysis on Dimethomorph	11
Computational Analysis on Molecular Stability and Binding Affinity of 3-(Aminothiazolyl)Quinolone Derivative as Multitargeting Antibacterial Agents through Ab Initio Methods and Molecular Docking	11
Synthesis, Density Functional Theory, Insecticidal Activity, and Molecular Docking of Some N -Heterocycles Derived from 2-((1,3-Diphenyl-1 H	11
Binder-Free Decorated Cu Cluster-Based Metal-Organic Framework on Copper Film for Thin-Film Microextraction of Polycyclic Aromatic Hydrocarbons Followed by High-Performance Liquid Chromatography-Photo	11
Synthesis of Pharmacologically Potent Benzimidazole Analogs	11
Shaker-Assisted Liquid–Liquid Microextraction Followed by Solidification of Floating Organic Droplet and Back-Extraction Procedure besides Partial Least Squares Regression for Simultaneous Spectrophot	11
On Analysis of Topological Co-Indices for Triangular Benzenoids and Starphene Nanotubes	11
Design, Spectroscopic, and Crystal Structural Characterization of New Pyrazolone-Based Schiff Bases: Molecular Docking Investigations against SARS-Covid-19 Main Proteases (PDB Ids: 6LU7 and 7TLL)	11
4-Thiazolidinone Based 5-Arylidene Hybrids: Design, Synthesis, Antimicrobial Activity, and Molecular Docking Studies	11
Unlocking the Potential of CDK4/6 Inhibitors: A Deep Dive into Abemaciclib, Palbociclib, and Ribociclib Succinate via DFT, Docking, Pharmacokinetics and MD Simulations	11
Novel Urea-Functionalized Magnetic Nanoparticles as a Heterogeneous Hydrogen Bonding Catalyst for the Synthesis of New 2-Hydroxy Pyridines	11
Synthesis of Three Key Impurities of Drug Dolutegravir: An Inhibitor of HIV-1 Integrase	11
Regio- and Stereoselective Synthesis of Dispiropyrrolidineoxindole Derivatives by Using Classical and Microwave Conditions, and Molecular Docking Studies of Them as Potential Cyclin Dependent Kinases	11
Design, Synthesis and Anticancer Evaluation of Novel Bis-Thiazol-1,2,4-Triazine Hybrids Contained 1,3,4-Oxadiazoles	11
Computational Studies, GERS, Photovoltaic Modelling and Molecular Docking Studies of Diethylstilbestrol and Its Methyl Ether	11
Experimental Spectroscopic, Quantum Chemical, Molecular Docking, and Molecular Dynamic Simulation Studies on Hydantoin (Monomer and Dimer)	11
Novel Indoline Spiro Derivatives As Anticancer Agents; Design, Synthesis, Molecular Docking Studies, and ADME Evaluation	11
Synthesis and Application of MOF(Fe)-TUR as a New H-Bond Catalyst for Synthesis of New Nicotinonitriles and Chromeno[4,3- b ] Pyridines	11
Synthesis, Tyrosinase Inhibition, Molecular Docking, and DFT Studies of Amide Derivatives of Fexofenadine	11
On the Expected Values of Topological Indices in Random Phenylene Chains	11
Therapeutic Efficacy of Benzimidazole and Its Analogs: An Update	11
Structural, Spectroscopic, and C-H…O Hydrogen Bonding Interaction on Structure (Monomer and Dimer) Vibrational Spectroscopic, Fukui, NCI, AIM, and RDG Analysis Molecular Docking and Molecular Dynamic	11
Theoretical Investigation of Structural, Spectroscopic (IR, ¹ H and ¹³ C NMR), Static, and Frequency-Dependent Nonlinear Optical P	10
Synthesis, Characterization, Fluoride Ion Sensing and DFT Studies of Carbamate-Based Bistriazole	10
QSPR Modeling with Topological Indices of Some Potential Drugs against Cancer	10
Synthesis of 1-[Aryl(Selenoacetamido)Methyl]-2-Naphthol Derivatives via a Three-Component Condensation	10
Collaboration of Ultrasonic Irradiation and Silica Nanoparticles in the Diastereoselective Synthesis of Trans-2,3-Dihydrofuran Derivatives: An Exceptional Catalytic Activity of Sound Cavities and SiO<	10
Q-Tube Assisted Green Synthesis of Bis(Azoles) and Bis(Azines) Linked to Arene Unit	10
Synthesis, Characterization of CoFe₂O₄and CoAl_0.8Fe₂O₄: A Novel Catalyst for the Synthesis of 12-Aryl/Hetroaryl-8,9,10,12-Tetrahydrobenzo[a	10
On Bond Incident Degree Indices of Random Spiro Chains	10
Investigation of Molecular Structure, Topological and Molecular Docking Studies of a Novel Anticancer Drug Pacritinib	10
Noncovalent Interactions, Structure Elucidation and Docking Studies of anti-Fungal Pyridine Carboxamide Derivatives of Co(II), Ni(II), Cu(II) & Zn(II)	10

Synthesis, Crystal Structure, Intermolecular Interactions, HOMO-LUMO, MEP, NLO Properties, and DFT/TD-DFT Investigation of (Z)-5-(4-Nitrobenzylidene)-3-N(3-Chlorophenyl)-2-Thioxothiazolidin-4-One	10
Theoretical Study on Design and Feasibility of Novel Circumtrindene Derivatives to Remove Ionic Contaminants	10
Microwave-Assisted Chemistry: New Synthetic Application for the Rapid Construction of 1H-Pyrazolo[1,2-b]Phthalazine-5,10-Dione Derivatives in Diisopropyl Ethyl Ammonium Acetate	10
Synthesis, Biological Evaluation, and Molecular Docking of New Benzimidazole-1,2,3-Triazole Hybrids as Antibacterial and Antitumor Agents	10
Synthesis and Biological Evaluation of Novel Benzylidene Thiazolo Pyrimidin-3(5 H )-One Derivatives	10
Computational Design of Azine-Linked Hybrids of 2-Indolinone-Thiazolodine Scaffold as Novel and Promising Quorum Sensing Inhibitors	10
Design and Synthesis of 1,2,3-Triazole Incorporated Isoflavone Derivatives as Anticancer Agents	10
Computational Quantum Chemical Study, Insilco Molecular Docking and ADMET Study of (3E,5E)-3,5-Bis((1 H -Indol-3-yl)Methylene)-1-Benzylpip	10
A DFT Study on Diels-Alder Reaction of Dibenzazepine and 2,5-Dimethylfuran Using Different Solvents and Temperature Conditions	10
Gram-Scalable Solvent-Free One-Pot Three-Component Synthesis of 2-Arylamino-3-Cyanopyridines	10
Synthesis, Structural, Spectroscopic and Quantum Chemical Investigation of a Novel 1,4-Diamino-2,5-dichlorobenzenium Picrate Single Crystal: An Efficient NLO Material	9
Spectroscopic Quantum Calculations Using Density Functional Theory and Molecular Docking Simulations on 2-(4-Methoxystyryl)-4,6-Bis(Trichloromethyl)-1,3,5-Triazine as Potent Inhibitor against SARS-CoV	9
6-Amino-2-(4-fluorophenyl)-4-(trifluoromethyl)quinoline: Insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Study	9
Design, Synthesis, Docking Studies and Biological Evaluation of Novel Benzochromenopyrimidines via Silica Sulfuric Acid Catalyzed Reaction on Apoptosis in Human Cancer Cells	9
Multi-Component Synthesis of Pyrido[2,3- d ]Pyrimidines Catalyzed by Nano Magnetite Schiff Base Complex	9
Comparative Analysis of Reverse Degree and Entropy Topological Indices for Drug Molecules in Blood Cancer Treatment through QSPR Regression Models	9
The Expected Value for the Wiener Index in the Random Spiro Chains	9
Synthesis, Molecular Docking, and Antitumor Evaluation of Some New Pyrazole, Pyridine, and Thiazole Derivatives Incorporating Sulfonamide Residue	9
An Efficient Synthesis and Study of Biological Activity of New Pyrimidoazepines Using Ag/Fe ₃ O ₄ /TiO ₂	9
Synthesis, Molecular Docking and Molecular Dynamic Studies of Thiazolidineones as Acetylcholinesterase and Butyrylcholinesterase Inhibitors	9
On counting polynomials of certain classes of polycyclic aromatic hydrocarbons	9
Halogenation of Pyrazolo[1,5-a]Pyrimidines with NXS	9
A Dicationic Molten Salt Catalyzed Synthesis of 1,2,4-Triazolopyrimidine, Quinazolinone and Biscoumarin Derivatives under Green Conditions	9
Concentrations, Source Apportionment and Health Risk Assessment of Polycyclic Aromatic Hydrocarbons (PAHs) in Household Dust Samples, the Case of City of Khorramabad, Iran	9
A New Approach to the Ring-Opening of Epoxides under Mild and Green Conditions	9
Optimization of Physicochemical Conditions for the Phenanthrene Degrading Consortium NS-PAH-2015-PNP-5	9
Synthesis of Novel Azo-Azomethine-Based Pd(II) Complexes and Catalytic Activities in the Synthesis of Vitamin K₃ (2-Methyl-1,4-Naphthoquinone)	9
Exploration of Novel 2,6-Bis(1-Aryl-1,2,3-Triazol-4-yl)Pyridine Derivatives: Synthesis, Apoptotic Antiproliferative Evaluation, and In silico Insight as	9
Investigating Graph Invariants for Predicting Properties of Chemical Structures of Antiviral Drugs	9
Investigation of Polycyclic Aromatic Hydrocarbons (PAHs) Uptake by Cucurbita pepo under Exhaust Gas Loading	9
Embedded Nickel Complex on Naturally Biodegradable Gaur Gum: Catalytic Application for the Green Synthesis of 2-Amino-3-Cyano-7-Hydroxy-4 H -Chromenes	9
Synthesis and Investigation of Biological Activity of New Oxazinoazepines: Application of Fe₃O₄/CuO/ZnO@MWCNT Magnetic Nanocomposite in Reduction of 4-Nitrophenol in Water	9
Synthesis and Antiproliferative Screening of Some Heterocycles Derived from 4-((5-Chloro-3-Methyl-1-Phenyl-1 H -Pyrazol-4-yl)Methylene)-2-Phenyloxazol-5(4	8
An Efficient Protocol for the Synthesis of Amcinonide from Tetraene Acetate	8
Spectroscopic (FT-IR, FT-Raman, UV-vis and NMR) Investigation, Molecular Structure, Docking and Chemical Reactivity Elucidation of Antifungal Drug Tioconazole	8
Synthesis and Evaluation of Novel (5S)-5-(Aminomethyl)-3-[4-(6,7-Dihydrothieno[3,2- c ]Pyridin-5(4 H )-yl)Phenyl]-1,3-Oxazolidin-2-One Der	8
New MCRs in Ionic Liquid: Green Synthesis and Biological Activity Investigation of New Pyrazoloazepines: Application of Ag/Fe ₃ O ₄	8
Synthesis and Antimicrobial Activity of New Triazines, Tetrazines, Thiazinoquinoxalines, Thienotriazepine-imidazo[4, 5-b]quinolines from Isatin Derivatives	8
Design and Synthesis of New 1,2,4-Triazolo-Thiadiazine-Quinoxalin-2(1 H )-One Conjugates as EGFR Targeting Agents	8
Facile Synthesis, Biological Evaluation, DFT Studies and in Silico Prediction ADME/Pharmacokinetics Properties of N -(1-(2-Chlorobenzo[h]Q	8
Activated Carbon and Zeolite Promoted Removing Aromatic Antibiotic Such as Cefixime and Amoxicillin from Aqueous Environment: Synthesis of Pyrrol Derivatives Using Amoxicillin	8
Expedite Greener Method Synthesis of Pyrano[2,3-d]Pyrimidine-2,4,7-Triones Accelerated by Ultrasound Irradiation	8
Encapsulating 2-Aminopyridine With Zeolite Imidazole Framework Nanoparticles for Induction of Cell Death via pH-Responsive Delivery in Hepatocellular Carcinoma (HepG2) Cells	8
Synthesis of 2-Aryl-7-Methyl-1-Phenyl-4-Selenoxo-1,4-Dihydro-Pyrano[4,3-d]Pyrimidin-5-One via a Three-Component Condensation	8
Introduction of Click Synthesized Novel Organic-Inorganic Solid Acid Catalysts for Highly Promoted Synthesis of Substituted Xanthenes	8
Synthesis of 5 H -Pyrrolo[3,4- b ]Pyridin-5-Ones via a Cerium Chloride Catalyzed Multicomponent Cascade Pro	8
Ultrasound Promoted One-Pot Multicomponent Synthesis of Highly Functionalized Tetrahydropyridine Derivatives	8
Synthesis of 11 H -Benzo[b]Fluoren-11-One via an Unprecedented Cascade Reaction of O -Phthaladehyde	8
Synthesis of 1 H -Pyrazolo[1,2- b ]Phthalazine-5,10-Dione and 1 H -Pyrazolo[1,2- a	8
Synthesis, and Cytotoxic Activity of Novel Pyrazoline-Thiazolidinone Derivatives with Molecular Docking Studies	8
Fabrication and Characterization of a Novel and Efficient Zinc Nanomagnetic Catalyst for Multicomponent Synthesis of Heterocycles	8
Modified Metal-Organic Frameworks as an Efficient Nanoporous Adsorbent for the Removal of Naproxen from Water Sources	8
Fe ₃ O ₄ /ZnO@MWCNT Promoted Green Synthesis of biological Active of New Azepinooxazepine Derivatives: Combination of Experimental	8
Computing Basis and Dimension of Chloroquine and Hydroxychloroquine by Using Chemical Graph Theory	8
Functionalized 2-Amino-4 H -1-Benzopyran-4-yl Phosphonate Scaffolds: Synthesis, Anticancer Evaluation and Computational Studies	8
Polycyclic Aromatic Hydrocarbon (PAH) Residues in the Honeybee, Honey, and Pollen and Estimation of Atmospheric Concentrations in Bursa, Turkey	8
QSPR Analysis of the Generalized Irregular Neighborhood Valency Descriptor of Some Basic Polycyclic Aromatic Hydrocarbons	8
Experimental Spectroscopic, DFT, Molecular Docking, and Molecular Dynamics Simulation Investigations on m-Phenylenediamine (Monomer and Trimer)	8
A Triazine-Based Cationic Covalent Organic Framework as a Robust Adsorbent for Removal of Methyl Orange	8
Spectrochemical Insights into Aromatic Hydrocarbons in 1,2-Disubstituted Naphthalenes: Investigations Using 1D and 2D NMR Spectroscopy and X-Ray Crystallography Analysis	8
Synthesis and Characterization of Novel Benzothiazinonic N -Acylhydrazone Derivatives	8
Design, Synthesis, and Biological Evaluation of Tryptanthrin Alkaloids as Potential anti-Diabetic and Anticancer Agents	8
Green Synthesis of Novel [1,3,4]Thiadiazolo[3,2-a]Pyrimidines via Three-Component Reaction of 5-Amino-1,3,4-Thiadiazole-2-Thiol, Aromatic Aldehydes, and Meldrum’s Acid	8
Novel 1,2,4-triazolethiol–thiophen Hybrids: Facile Synthesis, Characterization, ADMET Prediction and Molecular Docking	8
Monitoring of PAHs (Fluoranthene and Benzo(a)Anthracene) in Ambient Air of Ghaziabad Area of National Capital Region and Control of Air Pollution by Triveni Wood	8
Design, Synthesis, Biological Activity, and Molecular Modeling of Novel Spiroquinazoline Derivatives as Acetylcholinesterase Inhibitors for Alzheimer Disease	8
Improved and ‘Nitrosamines Free’ Process for the Preparation of an α4β2 Neuronal Nicotinic Acetylcholine Receptor Agonist-Varenicline Tartrate	8
Microwave Irradiation–Mediated Synthesis of New Substituted Pyridopyrimidines via the Suzuki–Miyaura Coupling Reaction and Biological Evaluation	8
Experimental and DFT Quantum Chemical Studies on Structural, Vibrational and Molecular Properties of Some Substituted 4-Phenylphenols	8
Design and Synthesis of Some New Quinoxaline-1,2,4-Oxadiazole-Amide Conjugates as EGFR Targeting Agents and ADMET Studies	8
A Review on Synthesis and Biological Applications of Quinoline Derivative as Fused Aromatic Compounds	7
Mixed Metric Dimension of Certain Carbon Nanocone Networks	7
QSPR Study of Ve-Degree Based End Vertice Edge Entropy Indices with Physio-Chemical Properties of Breast Cancer Drugs	7
Spectroscopic Investigation, DFT Calculations, anti-Inflammatory Activity and Molecular Dynamic Simulation Study on Fagaramide Alkaloid	7
Effect of Apple Polyphenol and Three Antioxidants on the Formation of Polycyclic Aromatic Hydrocarbon in Barbecued Pork	7
Facile Microwave Synthesis of Pd-Catalyzed Suzuki Reaction for Bis-6-Aryl Imidazo[1,2-a]Pyridine-2-Carboxamide Derivatives with PEG3 Linker	7
Study on the Interaction between Chalcone and DNA with Spectroscopy and Molecular Docking Technique	7
Synthesis, Single-Crystal XRD, Spectral and Computational Analysis of 2-(3,4-Dimethoxyphenyl)-1H-Phenanthro[9,10-d] Imidazole as Electron-Transport and NLO Material	7
Computational Study of a Novel Compound with Thioether-Bridge	7
A Novel Approach to Investigate Sadhana and PI Indices	7
Computation of Zagreb Polynomials and Zagreb Indices for Benzenoid Triangular & Hourglass System	7
Fe ₃ O ₄ Nanoparticles Decorated with a Modified Carbon Quantum Dot Shell: Synthesis, Characterization and Its Evaluation as an Ef	7
Theoretical Investigation of 5-Fluorouracil and Tamoxifen Complex – Structural, Spectrum, DFT, ADMET and Docking Simulation	7
Indole Fused Benzimidazole Hybrids: A Promising Combination to Fulfill Pharmacological Significance	7
Water Promoted One Pot Synthesis of Sesamol Derivatives as Potent Antioxidants: DFT, Molecular Docking, SAR and Single Crystal Studies	7
A New Approach for the Synthesis of Bis(3-Indolyl)Pyridines via a Cooperative Vinylogous Anomeric Based Oxidation Using Ammonium Acetate as a Dual Reagent-Catalyst Role under Mild and Green Condition	7
Synthesis, in vitro evaluation and molecular docking studies of novel naphthoisoxazolequinone carboxamide hybrids as potential antitumor agents	7
Novel heteroannulated chromeno[3′,2′:5,6]pyrido[2,3- d ]pyrido[2′,3′: 4,5][1,3]thiazolo[3,2- a ]pyrimidines: synthesis, characterization a	7
On Molecular Descriptors of Polycyclic Aromatic Hydrocarbon	7
Topological Indices and QSPR Modeling of New Antiviral Drugs for Cancer Treatment	7
Spectral Elucidations and Molecular Docking Analysis of Hydrogen Bonded Coordination Metal Complex Cadmium Nicotinate Using DFT Method	7
Synthesis of 4-Arylidene-1-(4-Phenylselenazol-2-yl)-3-Methyl-1H-Pyrazol-5(4H)-Ones via a Four-component Condensation	7
Synthesis, α-Glucosidase and β-Galactosidase Inhibitory Potentials and Molecular Docking of Some Novel Benzofuran-Pyridazine Derivatives	7
A New Molecular Structure and Computational Analyses: DFT Studies, NLO Properties, ADMET Predictions, Biological Targets, and Docking Experiments	7
QSPR Analysis of Kidney Infection (Pyelonephritis) Drugs by Entropy Graphs Weighted with Topological Indices, and MATLAB Programming	7