Polycyclic Aromatic Compounds

Article	Citations
Topological Indices of Some Chemical Structures Applied for the Treatment of COVID-19 Patients	64
Valency-Based Molecular Descriptors for Measuring the π-Electronic Energy of Lower Polycyclic Aromatic Hydrocarbons	43
On Topological Indices and QSPR Analysis of Drugs Used for the Treatment of Breast Cancer	37
Modified ZSM-5 Zeolite for Conversion of LPG to Aromatics	37
Correlation Ability of Degree-Based Topological Indices for Physicochemical Properties of Polycyclic Aromatic Hydrocarbons with Applications	32
Comparative Study of Zagreb Indices for Capped, Semi-Capped, and Uncapped Carbon Nanotubes	32
QSPR Analysis of Some Novel Drugs Used in Blood Cancer Treatment Via Degree Based Topological Indices and Regression Models	29
Nickel Nanoparticles Originated from Cressa Leaf Extract in the Preparation of a Novel Melem@Ni-HPA Photocatalyst for the Synthesis of Some Chromenes and a Preliminary MTT Assay on the Anticancer Acti	28
Solvent-Free One-Pot Synthesis of Diverse Dihydropyrimidinones/Tetrahydropyrimidinones Using Biginelli Reaction Catalyzed by Fe3O4@C@OSO3H	27
On Entropy Measures of Polycyclic Hydroxychloroquine Used for Novel Coronavirus (COVID-19) Treatment	27
Computation of Degree-Based Topological Descriptors Using M-Polynomial for Coronoid Systems	25
Computational Investigations for Identification of Bioactive Molecules from Baccaurea ramiflora and Bergenia ciliata as Inhibitors of SARS-CoV-2 Mpro	25
Comparative Study of Topological Indices for Capped and Uncapped Carbon Nanotubes	24
QSPR Study of Ve-Degree Based End Vertice Edge Entropy Indices with Physio-Chemical Properties of Breast Cancer Drugs	24
Synthesis, DFT and In Silico Anti-COVID Evaluation of Novel Tetrazole Analogues	23
On Topological Indices of Remdesivir Compound Used in Treatment of Corona Virus (COVID 19)	22
Synthesis, Spectral Characterization, Electronic Structure and Biological Activity Screening of the Schiff Base 4-((4-Hydroxy-3-Methoxy-5-Nitrobenzylidene)Amino)-N-(Pyrimidin-2-yl)Benzene Sulfonamide	22
On Topological Descriptors and Curvilinear Regression Analysis of Antiviral Drugs Used in COVID-19 Treatment	22
Quantitative Structure Analysis of Some Molecules in Drugs Used in the Treatment of COVID-19 with Topological Indices	22
Cu-Modified Magnetic Creatine as an Efficient Catalyst for Regioselective Preparation of 1,2,3-Triazoles Derivatives	21
Structural Analysis of Three Types of PAHs using Entropy Measures	21
Structural, Spectral, Molecular Docking, and Molecular Dynamics Simulations of Phenylthiophene-2-Carboxylate Compounds as Potential Anticancer Agents	20
Topological Properties of Doxorubicin Conjugated PEG-PAsp Copolymer Molecular Structure Used in Cancer Treatment	20
Computation of Zagreb Polynomials and Zagreb Indices for Benzenoid Triangular & Hourglass System	20
Molecular Modeling of the Spectroscopic, Structural, and Bioactive Potential of Tetrahydropalmatine: Insight from Experimental and Theoretical Approach	19

Taurine/Choline Chloride Deep Eutectic Solvent as a Novel Eco-Compatible Catalyst to Facilitate the Multi-Component Synthesis of Pyrano[2,3-d]Pyrimidinone (Thione), Hexahydroquinoline, and Bisc	19
Characterization and Identification of Naphthalene Degrading Bacteria Isolated from Petroleum Contaminated Sites and Their Possible Use in Bioremediation	18
Experimental and Computational Evaluation of Syringic Acid – Structural, Spectroscopic, Biological Activity and Docking Simulation	18
Synthesis of Some Novel 2-{Pyrano[2,3-c]Pyrazoles-4-Ylidene}Malononitrile Fused with Pyrazole, Pyridine, Pyrimidine, Diazepine, Chromone, Pyrano[2,3-c]Pyrazole and Pyrano[2,3-d]Py	18
One-Pot Multicomponent Synthesis of 3-Methyl-4-(Hetero)Arylmethylene Isoxazole-5(4H)-Ones Using Guanidine Hydrochloride as the Catalyst under Aqueous Conditions	18
Modeling the anti-Methicillin-Resistant Staphylococcus aureus (MRSA) Activity of (E)-6-chloro-N 2 -phenyl-N 4	18
(E)-4-((4-Bromobenzylidene) Amino)-N-(Pyrimidin-2-yl) Benzenesulfonamide from 4-Bromobenzaldehyde and Sulfadiazine, Synthesis, Spectral (FTIR, UV–Vis), Computational (DFT, HOMO–LUMO, MEP, NBO, NPA, EL	17
Zagreb Connection Indices for Some Benzenoid Systems	17
The Versatile Quinoline and Its Derivatives as anti-Cancer Agents: An Overview	17
Detailed Electronic Structure, Physico-Chemical Properties, Excited State Properties, Virtual Bioactivity Screening and SERS Analysis of Three Guanine Based Antiviral Drugs Valacyclovir HCl Hydrate, A	16
Facile and Efficient Synthesis of 9-Aryl-1,8-Dioxo-Octahydroxanthenes Catalyzed by Sulfacetamide	16
Synthesis, Biological Evaluation, and Molecular Docking of New Benzimidazole-1,2,3-Triazole Hybrids as Antibacterial and Antitumor Agents	16
A Novel of Azo-Thiazole Moiety Alternative for Benzidine-Based Pigments: Design, Synthesis, Characterization, Biological Evaluation, and Molecular Docking Study	16
The Eggshell Waste Transformed Green and Efficient Synthesis of K-Ca(OH)2 Catalyst for Room Temperature Synthesis of Chalcones	16
2-(Alkylthio)-3-(Naphthalen-1-yl)Quinazolin-4(3H)-Ones: Ultrasonic Synthesis, DFT and Molecular Docking Aspects	16
Detailed Quantum Mechanical Studies on Three Bioactive Benzimidazole Derivatives and Their Raman Enhancement on Adsorption over Graphene Sheets	15
Design, Synthesis, DFT, TD-DFT/PCM Calculations, and Molecular Docking Studies on the Anti-COVID-19, and Anti-SARS Activities of Some New Bis-Thiazoles and Bis-Thiadiazole	15
Synthesis of Pyrano [2,3-c] Pyrazole Derivatives Using a Novel Ionic-Liquid Based Nano-Magnetic Catalyst (Fe3O4@SiO2@(CH2)3NH@CC@Imidazole@SO	15
M-Polynomial and Degree-Based Molecular Descriptors of Certain Classes of Benzenoid Systems	15
Multistep Synthesis and Photophysical Investigation of Novel Pyrazoline, a Heterocyclic D-π-a Chromophore (PTPB) as a Fluorescent Chemosensor for the Detection of Fe3+ Metal Ion	15
On Reverse Degree Based Topological Indices of Polycyclic Metal Organic Network	14
On the Laplacians and Normalized Laplacians for Graph Transformation with Respect to the Dicyclobutadieno Derivative of [n]Phenylenes	14
S-(+) Camphorsulfonic Acid Glycine (CSAG) as Surfactant-Likes Brønsted Acidic Ionic Liquid for One-Pot Synthesis of ß-Amino Carbonyl	14
Topological Properties of Polycyclic Aromatic Nanostars Dendrimers	14
Synthesis, Characterization, Crystal Structure, Hirshfeld Surface, Electronic Excitation, Molecular Docking, and DFT Studies on 2-Amino Thiophene Derivative	14
Three-dimensional graphene–magnetic Organometallic nanohybrid as High‐Performance Visible Light Photocatalyst for the C-C Coupling Reactions	14
Experimental Spectroscopic, Computational, Hirshfeld Surface, Molecular Docking Investigations on 1H-Indole-3-Carbaldehyde	14
Supramolecular β-cyclodextrin as a Biodegradable and Reusable Catalyst Promoted Environmentally Friendly Synthesis of Pyrano[2,3-d]pyrimidine ScaffoldsviaTandem Knoevenagel–Michael–Cyclo	14
Design and Rapid Microwave Irradiated One-Pot Synthesis of Tetrahydropyrimidine Derivatives and Their Screening In Vitro Antidiabetic Activity	14
Microwave-Accelerated Facile Synthesis of 1H-Pyrazolo[1,2-b]Phthalazine-5,10-Dione Derivatives Catalyzed by WEMPA	14
Review on Synthesis and Medicinal Application of Dihydropyrano[3,2-b]Pyrans and Spiro-Pyrano[3,2-b]Pyrans by Employing the Reactivity of 5-Hydroxy-2-(Hydroxymethyl)-4H-Pyran-4-One	14
Synthesis of New Thiazole and Pyrazole Clubbed 1,2,3-Triazol Derivatives as Potential Antimycobacterial and Antibacterial Agents	14
Synthesis, Characterization and Computational Analysis of Thiophene-2,5-Diylbis((3-Mesityl-3-Methylcyclobutyl)Methanone)	13
New Methods for Synthesis of 1,2,3-Triazoles: A Review	13
Topological Properties of Supramolecular Chain of Different Complexes of N-Salicylidene-L-Valine	13
Tetrazoloquinoline-1,2,3-Triazole Derivatives as Antimicrobial Agents: Synthesis, Biological Evaluation and Molecular Docking Study	13
Degree-Based Topological Aspects of Polyphenylene Nanostructures	13
Synthesis, Characterization and Theoretical Investigations on the Molecular Structure, Electronic Property and anti-Trypanosomal Activity of Benzenesulphonamide-Based Carboxamide and Its Derivatives	13
Polycyclic Aromatic Hydrocarbons Formation and Mitigation in Meat and Meat Products	13
Antioxidant, Antimicrobial, DNA Cleavage, Fluorescence Properties and Synthesis of 4- (3,4,5-Trimethoxybenzyloxy) Phenoxy) Substituted Zinc Phthalocyanine	13
Steglich’s Base Catalyzed Three-Component Synthesis of Isoxazol-5-Ones	13
Molecular Structure, Experimental and Theoretical Vibrational Spectroscopy, (HOMO-LUMO, NBO) Investigation, (RDG, AIM) Analysis, (MEP, NLO) Study and Molecular Docking of Ethyl-2-{[4-Ethyl-5-(Quinolin	13
Synthesis and Antimicrobial Activities of Some New Bis(Schiff Bases) and Their Triazole-Based Lariat Macrocycles	13
Topological Study of Hydroxychloroquine Conjugated Molecular Structure Used for Novel Coronavirus (COVID-19) Treatment	13
Ambroxol: Insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Study	13
Bio-Fe3O4-MNPs Promoted Green Synthesis of Pyrido[2,1-a]isoquinolines and Pyrido[1,2-a]quinolines: Study of Antioxidant and Antimicrobial Activity	12
Evolutionary Relationship of Polycyclic Aromatic Hydrocarbons Degrading Bacteria with Strains Isolated from Petroleum Contaminated Soil Based on 16S rRNA Diversity	12
Molecular Docking and 3D-QSAR Studies on a Series of Benzenesulfonamide Derivatives as a Hepatitis B Virus Capsid Assembly Inhibitor	12
Investigation of Ambient Polycyclic Aromatic Hydrocarbons in a Populated Middle Eastern City	12
Design, Synthesis and Biological Evaluation of Novel Furan & Thiophene Containing Pyrazolyl Pyrazolines as Antimalarial Agents	12

Synthesis and Antibacterial Activity of New Imidazo[1,2-a]pyridines Festooned with Pyridine, Thiazole or Pyrazole Moiety	12
Vertex-Degree Based Topological Indices of Graphene	12
Design, Synthesis, Spectroscopic Studies, DFT, TD-DFT/PCM Calculations, and Molecular Docking Studies on the anti-SARS and anti-COVID-19 Activities of Novel Benzidine Bis Azo 1-(2-Hydroxy-3-Naphthoic	12
Synthesis, Antimicrobial and Anticancer Evaluations of Novel Thiazoles Incorporated Diphenyl Sulfone Moiety	12
Theoretical Investigation of 5-Fluorouracil and Tamoxifen Complex – Structural, Spectrum, DFT, ADMET and Docking Simulation	12
Current Advancement in the Oxadiazole-Based Scaffolds as Anticancer Agents	12
Carboxymethyl Cellulose (CMC) as a Recyclable Green Catalyst Promoted Eco-Friendly Protocol for the Solvent-Free Synthesis of 1H-Pyrazolo[1,2-b]Phthalazine-5,10-Dione Derivatives	12
Synthesis, Molecular Docking, and DFT Studies of Some New 2,5-Disubstituted Benzoxazoles as Potential Antimicrobial and Cytotoxic Agents	11
Exploring the Interaction between Microplastics, Polycyclic Aromatic Hydrocarbons and Biofilms in Freshwater	11
M-Polynomials of Tetra-Cyano-Benzene Transition Metal Structure	11
Synthesis and Activity Evaluation of Some Pyrazole–Pyrazoline Derivatives as Dual Anti-Inflammatory and Antimicrobial Agents	11
Synthesis, Spectroscopic, Crystal Structure, DFT, Hirshfeld Surface and Molecular Docking Analysis of Hexahydroquinoline Derivative (HQ)	11
Antibacterial Potential of Trihydroxycyclohexa-2,4-Diene-1-Carboxylic Acid: Insight from DFT, Molecular Docking, and Molecular Dynamic Simulation	11
Co and Zn Metal Phthalocyanines with Bulky Substituents: Anticancer, Antibacterial Activities and Their Inhibitory Effects on Some Metabolic Enzymes with Molecular Docking Studies	11
Computing Topological Indices for Molecules Structure of Polyphenylene via M-Polynomials	11
Mechanochemical Approach for the Selective Synthesis of 1,2-Disubstituted Benzimidazoles and Their Molecular Docking Studies	11
Topological Properties of Concealed Non-Kekulean Benzenoid Hydrocarbon	11
Anticancer Activity of New Bis-(3-(Thiophen-2-yl)-1H-Pyrazol-4-yl)Chalcones: Synthesis, in-Silico, and in-Vitro Studies	11
ZnFe2O4 Nano-Catalyzed One-Pot Multi-Component Synthesis of Substituted Tetrahydropyranoquinoline under Neat Ultrasonic Irradiation	11
Triethylenetetramine-Grafted Magnetic Graphene Oxide (Fe 3 O 4 @GO-NH 2 ) as a Reusable Heterog	11
Water Extract of Tamarindus Indica Seed Ash: An Agro-Waste Green Medium for One-Pot Three-Component Approach for the Synthesis of 4H-Pyran Derivatives	11
Biosynthesized CuO as a Green and Efficient Nanophotocatalyst in the Solvent-Free Synthesis of Some Chromeno[4, 3-b]Chromenes. Studying anti- Gastric Cancer Activity	11
Topological Study of Polycyclic Graphite Carbon Nitride	11
Benzimidazole-Quinoline Hybrid Scaffold as Promising Pharmacological Agents: A Review	10
DFT, Molecular Docking and ADME Studies of Thiazolidinones as Tyrosinase Inhibitors	10
Theoretical Investigation of Inclusion Complexes of 3-Hydroxyflavone and Quercetin as Guests with Native and Modified β-Cyclodextrins as Hosts	10
Quantum Mechanical Study, Spectroscopic (FT-IR, FT-Raman and UV-Vis) Study, NBO, NLO Analysis and Molecular Docking Studies of 2-Ethoxy-4-(Pyridine-2yliminomethyl)-Phenol	10
Molecular Structural Descriptors of Donut Benzenoid Systems	10
Variations of Polycyclic Aromatic Hydrocarbons in Vegetable Oils During Seed Roasting Pre-Treatment	10
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	10
Microwave Irradiated Targeted Synthesis of Pyrrolobenzodiazepine Embrace 1,2,3-Triazole by Click Chemistry Synthetic Aspect and Evaluation of Anticancer and Antimicrobial Activity	10
Design, Synthesis, Anticancer Evaluation, and Molecular Docking Studies of Thiazole–Pyrimidine Linked Amide Derivatives	10
Mono-Ammonium Phosphate Fertilizer Modified by Cadmium: An Efficient and Recyclable Catalyst for 2,3-Dihydroquinazolin-4(1H)-One Derivatives Synthesis	10
A Novel Hybrid Organic-Inorganic Nanomaterial: preparation, Characterization and Application in Synthesis of Diverse Heterocycles	10
In Silico Investigation of Electronic Structure, Binding Patterns and Molecular Docking of Nevirapine: An anti-HIV Type-1 Drug	10
Synthesis, DFT and Antitumor Activity Screening of Some New Heterocycles Derived from 2,2'-(2-(1,3-Diphenyl-1H-Pyrazol-4-yl)Ethene-1,1-Diyl)Bis(4H-Benzo[d][1,3]Oxazin-4-One)	10
Topological Indices and QSPR Analysis of NSAID Drugs	10
Exploration of Antioxidant, Anti-inflammatory and Anticancer Potential of Substituted 4-Thiazolidinone Derivatives: Synthesis, Biological Evaluation and Docking Studies	10
Synthesis, α-Glucosidase Inhibition, Anticancer, DFT and Molecular Docking Investigations of Pyrazole Hydrazone Derivatives	10
Design, Spectroscopic Studies, DFT Calculations and Evaluation of Biological Activity of Novel 1,3-Benzoxazines Encompassing Isoniazid	10
Design, Synthesis, and Molecular Docking of Novel Hybrids of Coumarin-Dithiocarbamate Alpha-Glucosidase Inhibitors Targeting Type 2 Diabetes Mellitus	9
Heterogeneously Catalyzed Pechmann Condensation Employing the HFe(SO4)2.4H2O-Chitosan Nano-Composite: Ultrasound-Accelerated Green Synthesis of Coumarins	9
Synthesis, Characterization, Molecular Docking and Antimicrobial Activity of Novel Spiropyrrolidine Derivatives	9
Ultrasound Assisted and Aluminized Polyborate Prompted Green and Efficient One Pot Protocol for the Synthesis of Hexahydroquinolines	9
Rapid One-Pot Multicomponent Dioxane-HCl Complex Catalyzed Solvent-Free Synthesis of 3,4-Dihydropyrimidine-2-One Derivatives	9
Magnetic Nanoparticles Supported Copper Nanocomposite: A Highly Active Nanocatalyst for Synthesis of Benzothiazoles and Polyhydroquinolines	9
Assessment of Sewage Molecular Markers in Port Dickson Coast and Kim Kim River with Sediment Linear Alkylbenzenes	9
Synthesis, Docking and Density Functional Theory Approaches on 1,3-Bis-3-(4-Chlorophenyl)-2,3-Dihydroquinazolin-4(1H)-on-2-Thioxopropane toward the Discovery of Dual Kinase Inhibitor	9
Temporal Variations and Source Identification of Polycyclic Aromatic Hydrocarbons (PAHs) in Rainwater Collected in a Semi-Urban Area within an Industrial Area in Turkey	9
Effects of Honey-Spices Marination on Polycyclic Aromatic Hydrocarbons and Heterocyclic Amines Formation in Gas-Grilled Beef Satay	9
In Vitro and In Silico Studies of Quinoline-2-Carbaldehyde Hydrazone Derivatives as Potent Antimicrobial Agents	9
Salen: Insight into the Crystal Structure, Hirshfeld Surface Analysis, Optical Properties, DFT, and Molecular Docking Studies	9
Synthesis of Quinolines, Quinazolines and Spiro-Quinazolines Using Nanoporous TiO2 Containing an Ionic Liquid Bridge as an Efficient and Reusable Catalyst	9
1,4 Butanesultone Functionalized Graphitic Carbon Nitride: Efficient Catalysts for the One-Pot Synthesis of 1,4-Dihydropyridine and Polyhydroquinoline Derivative through Hantzsch Reaction	9
Ultrasound-Promoted Pyruvic Acid Catalyzed Green Synthesis of Biologically Relevant Bis(Indolyl)Methanes Scaffold under Aqueous Condition	9
Copper(II) Monomer Bearing Phenolate-Based Ligand: Theoretical and Experimental Visions	9
Mortar–Pestle Grinding Technique as an Efficient and Green Method Accelerates the Tandem Knoevenagel–Michael Cyclocondensation Reaction in the Presence of Ethylenediamine Immobilized on the Magnetite	9
X-Ray Crystallography, Spectral Analysis, DFT Studies, and Molecular Docking of (C 9 H 15 N 3 )	9
The Expected Values of the First Zagreb and Randić Indices in Random Polyphenyl Chains	9
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	9
Topological Indices and QSPR Modeling of New Antiviral Drugs for Cancer Treatment	9
Modeling the Conformational Preference, Spectral Analysis and Other Quantum Mechanical Studies on Three Bioactive Aminobenzoate Derivatives and Their SERS Active Graphene Complexes	9
Modeling of Anthranilhydrazide (HL1) Salicylhydrazone and Its Copper Complexes Cu(I) and Cu(II) as a Potential Antimicrobial and Antituberculosis Therapeutic Candidate	9
Degree Based Weighted Entropy Indices of Hyaluronic Acid-Curcumin Conjugates: an Anti-Tumor Drug	9
Mycotoxins: Food Safety, Consumer Health and Africa’s Food Security	9
Synthesis of 4,4'-(Aryl Methylene)Bis(3-Methyl-1H-Pyrazol-5-ol) Derivatives and Pyrano[2, 3-c] Pyrazole Derivatives Using an Engineered Copper-Based Nano-Magnetic Catalyst (Fe3	9
Comparative Study of ve-Degree and ev-Degree Topological Descriptors for Benzene Ring Embedded in P-Type-Surface in 2D Network	9
Synthesis and Anticancer Activity of Some Fused Heterocyclic Compounds Containing Pyrazole Ring	9
Resveratrol and Its Natural Analogues Inhibit RNA Dependant RNA Polymerase (RdRp) of Rhizopus oryzae in Mucormycosis through Computational Investigations	9
Design, Synthesis, and Biological Evaluation of Newer Arylidene Incorporated 4-Thiazolidinones Derivatives as Potential Antimicrobial Agents	9
Recent Progress on Fused Thiadiazines: A Literature Review	9
Ionic Liquid-Coated Nanoparticles (CaO@SiO2@BAIL): A Bi-Functional and Environmentally Benign Catalyst for Green Synthesis of Pyridine, Pyrimidine, and Pyrazoline Derivatives	8
Synthesis, Biological Evaluation and Docking Studies of Some New Indolyl-Pyridine Containing Thiazolidinone and Azetidinone Analogs	8
Micro-Solid Phase Extraction of Volatile Organic Compounds in Water Samples Using Porous Membrane-Protected Melamine-Modified MIL-88 Followed by Gas Chromatography-Mass Spectrometry	8
QSPR Modeling with Curvilinear Regression on the Reverse Entropy Indices for the Prediction of Physicochemical Properties of Benzene Derivatives	8
Synthesis, Characterization, and Antimicrobial Evaluation of Some New 1,4-Dihydropyridine Hybrid with 1,3,4-Thiadiazole	8
Non-Covalent Bonding Interaction between Primaquine as Guest and 2-(Hydroxypropyl)-β-Cyclodextrin as Host	8
β‐Cyclodextrin: An Efficient Supramolecular Catalyst for the Synthesis of Pyranoquinolines Derivatives under Ultrasonic Irradiation in Water	8
6-Amino-2-(4-fluorophenyl)-4-(trifluoromethyl)quinoline: Insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Study	8
Effect of n-Butanol Addition to Diesel Fuel on Reduction of PAH Formation and Regulated Pollutants	8

Uric Acid as a Naturally Biodegradable and Reusable Catalyst for the Convenient and Eco-Safe Synthesis of Biologically Active Pyran Annulated Heterocyclic Systems	8
Topological Study of Carbon Nanotube and Polycyclic Aromatic Nanostar Molecular Structures	8
Computation of the Forgotten Topological Index and Co-Index for Carbon Base Nanomaterial	8
Efficient One-Pot Synthesis of 1,4-Dihydropyridine and Polyhydroquinoline Derivatives Using Sulfanilic Acid-Functionalized Boehmite Nano-Particles as an Organic-Inorganic Hybrid Catalyst	8
On Degree Based Topological Aspects of Some Dendrimers	8
First-Principle Studies of Istradefylline with Emphasis on the Stability, Reactivity, Interactions and Wavefunction-Dependent Properties	8
On Rational Curve Fitting between Topological Indices and Entropy Measures for Graphite Carbon Nitride	8
Synthesis, Antibacterial Activity and Molecular Docking Study of a Series of 1,3-Oxazole-Quinoxaline Amine Hybrids	8
Biscoumarin Derivatives as Potent anti-Microbials: Graphene Oxide Catalyzed Eco-Benign Synthesis, Biological Evaluation and Docking Studies	8
Azole-Based Antibacterial Agents: A Review on Multistep Synthesis Strategies and Biology	8
Borax: An Environmentally Clean Catalyst for the Synthesize of Pyrano[2,3-c]Pyrazoles and Xanthene-1,8-Diones in H2O	8
Comparative Analysis of Reverse Degree and Entropy Topological Indices for Drug Molecules in Blood Cancer Treatment through QSPR Regression Models	8
Solid-state Synthesis, electronic Structure Studies, Solvent Interaction through Hydrogen Bonding, and Molecular Docking Studies of 2,2’-((1,2-Phenylenebis(Azaneylylidene))Bis (Methaneylylidene))Diphe	8
Biological Activity and Molecular Docking Study of Some Bicyclic Structures: Antidiabetic and Anticholinergic Potentials	8
Synthesis, Characterization, and Antimicrobial Activity of New Thienopyrimidine Derivatives	8
Systematic In Silico Studies of Corticosteroids and Its Binding Affinities with Glucocorticoid Receptor for Covid-19 Treatment: Ab-Initio, Molecular Docking and MD Simul	8
2-Aminoisoindoline-1,3-Dione-Functionalized Fe3O4/Chloro-Silane Core-Shell Nanoparticles as Reusable Catalyst: An Efficient Heterogeneous Magnetic Nanoparticles for Synthesis of	8
Synthesis and Application of Novel Magnetic Glycoluril Tetrakis(Methylene Phosphorous Acid) as a Nano Biological Catalyst for the Preparation of Nicotinonitriles via a Cooperative Vinylogous An	8
Topological Study of Line Graph of Remdesivir Compound Used in the Treatment of Corona Virus	8
Microwave-Assisted One-Pot Three Component Synthesis of Some Thiazolyl(Hydrazonoethyl)Thiazoles as Potential Anti-Breast Cancer Agents	8
Polypyridyl Coordinated Re(I) complexes for human tenascin-C (TNC) as an Antibreast Cancer Agent: An Intuition from Molecular Modeling and Simulations	8
An Efficient Synthesis of Phthalimides and Their Biological Activities	8
On Topological Co-Indices of Polycyclic Tetrathiafulvalene and Polycyclic Oragano Silicon Dendrimers	8
On Ve-Degree and Ev-Degree Based Topological Properties of H-Naphtalenic Nanotube	8
Molecular Dynamics Simulation, QSAR, DFT, Molecular Docking, ADMET, and Synthesis of Ethyl 3-((5-Bromopyridin-2-yl)Imino)Butanoate Analogues as Potential Inhibitors of SARS-CoV-2	8
Bisbenzoxazole Derivatives: Design, Synthesis,in VitroAntimicrobial, Antiproliferative Activity, and Molecular Docking Studies	7
Schiff Base Metal Complexes as Antimicrobial and Anticancer Agents	7
Gas Chromatography–Mass Spectrometric (GC-MS) Determination of Polycyclic Aromatic Hydrocarbons in Smoked Meat and Fish Ingested by Bangladeshi People and Human Health Risk Assessment	7
Synthesis, Anticancer Activity, Pharmacokinetics, and Docking Study of Some New Heterocycles Linked Indole Moiety	7
Fe3O4@nSiO2@mSiO2/DBU: A Novel and Effective Basic Magnetic Nanocatalyst in the Multicomponent One Pot Synthesis of Polyhydroacridines and Polyhydroquinolin	7
Synthesis, Characterization and First Application of Graphene Oxide Functionalized Cu(II) Complex for the Synthesis of 1,2,3-Triazole Derivatives	7
Multiset and Mixed Metric Dimension for Starphene and Zigzag-Edge Coronoid	7
Vibrational Hamiltonian of Naphthalene (C10H8) Using Dynamical U(2) Lie Algebras	7
Introduction of Agar-Entrapping as a Novel Strategy to Improve the Catalytic Activity of Moisture-Absorbing Acidic Ionic Liquids: A Case Study in the Synthesis of 5-Arylidene Barbituric Acids and Pyra	7
Synthesis and Biological Evaluation of Novel Phenothiazine Derivatives as Potential Antitumor Agents	7
Investigation of Barrier Potential, Structure (Monomer & Dimer), Chemical Reactivity, NLO, MEP, and NPA Analysis of Pyrrole-2- Carboxaldehyde Using Quantum Chemical Calculations	7
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)	7
N-(Phenylsulfonyl)Benzenesulfonamide: A New Organocatalyst for One-Pot, Solvent-Free Synthesis of Biginelli’s 3,4-Dihydropyrimidine-2(1H)-Thiones	7
Gallium Oxide (Ga2O3): An Efficient Heterogeneous Nanocatalyst for One Pot, Multi-Component Synthesis of Polyhydroquinolines	7
On Metric Dimension and Fault Tolerant Metric Dimension of Some Chemical Structures	7
Synthesis and Antitumor Activity of Novel Hybrids of Pyrimidine/Benzimidazole Scaffolds	7
Ultrasonic Promoted Regioselective Reactions of the Novel Spiro 3,1-Benzoxazon-Isobenzofuranone Dye Toward Some Organic Base Reagents	7
The Expected Value for the Wiener Index in the Random Spiro Chains	7
Potash Alum as a Sustainable Heterogeneous Catalyst: A One-Pot Efficient Synthesis of Highly Functionalized Pyrrol-2-ones and Furan-2-ones	7
Efficient Green Chemistry Approach for the Synthesis of 1,2,3-Triazoles Using Click Chemistry through Cycloaddition Reaction: Synthesis and Cytotoxic Study	7
Synthesis, Anticancer Activity and Molecular Docking Studies of Hybrid Benzimidazole-1,3,4-Oxadiazol-2-N-Alkyl/Aryl Amines	7
Antitubercular, Antimalarial Activity and Molecular Docking Study of New Synthesized 7-Chloroquinoline Derivatives	7
New Fluorescent Heterocyclic Compounds Derived From 3-Cyanobenzanthrone	7
Synthesis, Antimicrobial Capability and Molecular Docking of Heterocyclic Scaffolds Clubbed by 2-Azetidinone, Thiazole and Quinoline Derivatives	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
Imidazole Appended Novel Phenoxyquinolines as New Inhibitors of α-Amylase and α-Glucosidase Evidenced with Molecular Docking Studies	7
Synthesis of Benzodiazepines Promoted by CeO2/CuO@Nitrogen Graphene Quantum Dots@NH2 Nanocomposite	7
A Competent, Atom-Efficient and Sustainable Synthesis of Bis-Coumarin Derivatives Catalyzed over Strontium-Doped Asparagine Modified Graphene Oxide Nanocomposite	7
Topological Peripheral Shapes and Distance-Based Characterization of Fullerenes C20-C720: Existence of Isoperipheral Fullerenes	7
Spectroscopic, Solvation Effects and MD Simulation of an Adamantane-Carbohydrazide Derivative, a Potential Antiviral Agent	7
Fe3O4@NCs/Sb(V): As a Cellulose Based Nano-Catalyst for the Synthesis of 4H-Pyrimido[2,1-b]benzothiazoles	7
Development of 1,3,4-Thiadiazole and Piperazine Fused Hybrid Quinazoline Derivatives as Dynamic Antimycobacterial Agents	7
Discovery of Rhodanine and Thiazolidinediones as Novel Scaffolds for EGFR Inhibition: Design, Synthesis, Analysis and CoMSIA Studies	7
Study of Carbon Nanbotubes and Boron Nanotubes Using Degree Based Topological Indices	6
Catalyst-Free and Solvent-Free Visible Light Assisted Synthesis of Tetrahydrobenzo[b]Pyran Scaffolds at Room Temperature	6
Regioselective One-Pot Synthesis and Antioxidant Activity Study of Trichloro Isatins and Dichloro Isatins	6
Irregularity Indices for Certain Anti-Tumor and Anti-Covid Drugs	6
Adsorption of Phenothiazine Derivatives on Graphene – DFT, Docking and MD Simulation	6
Microwave-Assisted Multi-Component Green Synthesis of Benzo[α]furo[2, 3-c]phenazine Derivatives via a Magnetically-Separable Fe3O4@rGO@ZnO-HPA Nanocatalyst u	6
One-Pot Three-Component Synthesis of 1-(α-Aminoalkyl)-2-Naphthols Using Nano-[Ni-4MSP](NO3)2 as a New Catalyst	6
Experimental and Computational Interaction Studies of (E)-N’-Benzylidene-5-Methyl-1H-Pyrazole-3-Carbohydrazide with α-Glucosidase and α-Amylase Enzymes: A Detailed Structural, Spectroscopic, and Bioph	6
Bounds of Some Degree Based Indices of Lexicographic Product of Some Connected Graphs	6
Recent Advances on Multicomponent Synthesis of Pyranopyrazoles Using Magnetically Recoverable Nanocatalysts	6
Amide-Linked Monocarbonyl Curcumin Analogues: Efficient Synthesis, Antitubercular Activity and Molecular Docking Study	6
Polyphenolic Phytochemicals Exhibit Promising SARS-COV-2 Papain Like Protease (PLpro) Inhibition Validated through a Computational Approach	6
A New Basic Ionic Liquid Supported on Magnetite Nanoparticles: An Efficient Phase-Transfer Catalyst for the Green Synthesis of 2-Amino-3-Cyano-4H-Pyrans	6
Fe3O4/CuO Nanocomposite Promoted Green Synthesis of Functionalized Quinazolines Using Water Extract ofLettuce Leavesas Green Media: Study of Antioxidant Activity	6
DFT Simulation of Berberine Chloride with Spectroscopic Characterization – Biological activity and Molecular Docking against Breast Cancer	6
Effect of Polycyclic Aromatic Hydrocarbons (PAHs) on Respiratory Diseases and the Risk Factors Related to Cancer	6
Estimation of Binding Sites of Efavirenz with 3EO9 Receptor: In Silico Molecular Docking and Molecular Dynamics Studies	6
Convenient Synthesis of Some New Thiophene, Pyrazole, and Thiazole Derivatives Bearing Biologically Active Sulfonyl Guanidine Moiety	6
The Atom-Bond Connectivity and Geometric-Arithmetic Indices in Random Polyphenyl Chains	6
A Study on Polycyclic Aromatic Hydrocarbon and Heavy Metal Concentrations of Commercial Grilled Meat (Suya) and Smoked Catfish (Clarias gariepinus Burchell, 1822) Fish from South-West, Nigeria	6
Computational Investigation for the Removal of Hydrocarbon Sulfur Compounds by Zinc Oxide Nano-Cage (Zn12O12-NC)	6
Synthesis of Novel Heterocyclic Compounds Containing Thiazolyl-Pyrazoline Moiety from Chalcone Derivatives	6
Crystal Growth, Structural, Vibrational, Effects of Hydrogen Bonding(C-H…O and C-H…N), Chemical Reactivity, Antimicrobial Activity, Inhibitory Effects and Molecular Dynamic Simulation of 4-Methoxy-N-(	6
A Highly Efficient and Eco-Friendly Synthesis of Disubstituted Imidazoles in Ionic Liquid from Gem-Dibromo Vinylarenes and Amidines	6
Effect of Apple Polyphenol and Three Antioxidants on the Formation of Polycyclic Aromatic Hydrocarbon in Barbecued Pork	6
Molecular Descriptors of Porphyrin-based Dendrimer	6
On Ve-Degree and Ev-Degree Based Topological Indices for the Series of Benzenoid Graphs	6
1-hydroxy-6,6-Dimethyl-3-Phenyl-1,6-Dihydropyridine-2,5-Dione as a Promising Inhibitor of the SARS-CoV-2 Proteins: insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Stud	6
Recent Update on the Pharmacological Significance of Isatis tinctoria L. (Brassicaceae) Extracts	6
Investigation of the Anti-Plasmodial Properties of N-2-Oxo Pyrrolidine Pentanamide-Based Sulfonamides: Experimental and Theoretical Approach	6
Different Versions of Atom-Bond Connectivity Indices of Some Molecular Structures: Applied for the Treatment and Prevention of COVID-19	6
Eco-Friendly Conversion of p-Nitrophenol into p-Aminophenol Using Calix[4]arene Derived CuO Nanoparticles: An Excellent Catalytic Agent	6
Mesoporous SBA-15@Tromethamine-Pr: Synthesis, Characterization and Its Catalytic Application in the Synthesis of Bis(Pyrazolyl)Methanes	6
Synthesis of 1,3,4-Thiadiazole Derivatives Using Hydrazonoyl Bromide: Molecular Docking and Computational Studies	6
Fluorescent Azomethine by the Condensation of Sulfadiazine and 4-Chlorobenzaldehyde in Solution: Synthesis, Characterization, Solvent Interactions, Electronic Structure, and Biological Activity Predic	6
Design and Synthesis of Some New N-(Thiazol-2-yl) Benzamides of Quinoxaline as DNA Topoisomerase II Targeting Anticancer Agents and ADMET	6
On Analysis of Temperature Based Topological Indices of Some Covid-19 Drugs	6