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For: Gümüş M, Babacan ŞN, Demir Y, Sert Y, Koca İ, Gülçin İ. Discovery of sulfadrug-pyrrole conjugates as carbonic anhydrase and acetylcholinesterase inhibitors. Arch Pharm (Weinheim) 2021;:e2100242. [PMID: 34609760 DOI: 10.1002/ardp.202100242] [Cited by in Crossref: 41] [Cited by in F6Publishing: 52] [Article Influence: 20.5] [Reference Citation Analysis]
Number Citing Articles
1 Şahin S, Can NN. A Schiff Base with Polymorphic Structure (Z′ = 2): Investigations with Computational Techniques and in Silico Predictions. Polycyclic Aromatic Compounds 2023. [DOI: 10.1080/10406638.2022.2161585] [Reference Citation Analysis]
2 Rharmili N, Thiruvalluvar AA, Anouar EH, Rodi YK, Chahdi FO, Haoudi A, Mague JT, Mazzah A, Sebbar NK, Essassi EM. Synthesis, X-Ray, Spectroscopic Characterization, Hirshfeld Surface Analysis, Molecular Docking, and DFT Calculations of a New Series of 3-Hydrazono and 3-Phenylhydrazono Isatin Derivatives. Polycyclic Aromatic Compounds 2023. [DOI: 10.1080/10406638.2022.2157454] [Reference Citation Analysis]
3 Wang K, Yang F, Liu X, Lin X, Yin H, Tang Q, Jiang L, Yao K. Appraising the Effects of Metabolic Traits on the Risk of Glaucoma: A Mendelian Randomization Study. Metabolites 2023;13. [PMID: 36677034 DOI: 10.3390/metabo13010109] [Reference Citation Analysis]
4 Wang X, Gao C, Han P, Li X, Chen W, Rodríguez Patón A, Wang S, Zheng P. PETrans: De Novo Drug Design with Protein-Specific Encoding Based on Transfer Learning. Int J Mol Sci 2023;24. [PMID: 36674658 DOI: 10.3390/ijms24021146] [Reference Citation Analysis]
5 Sukumaran S, Zochedh A, Viswanathan TM, Sultan AB, Kathiresan T. Theoretical Investigation of 5-Fluorouracil and Tamoxifen Complex – Structural, Spectrum, DFT, ADMET and Docking Simulation. Polycyclic Aromatic Compounds 2023. [DOI: 10.1080/10406638.2022.2164018] [Reference Citation Analysis]
6 M JP, Dhas DA, Joe IH, Balachandran S. Structural, Spectroscopic, Quantum Chemical, RDG, AIM, ELF, Fukui, O–H…N Hydrogen Bonding and NLO Activity of 2-Hydroxy-2-Phenyl Acetophenone Oxime: Experimental and Theoretical Approach. Polycyclic Aromatic Compounds 2023. [DOI: 10.1080/10406638.2022.2164016] [Reference Citation Analysis]
7 M. A. Asif H, Kamal S, Aziz-ur-rehman, Bibi I, Almasoud N, Alomar TS, Iqbal M. Synthesis characterization and evaluation of novel triazole based analogs as a acetylcholinesterase and α-glucosidase inhibitors. Arabian Journal of Chemistry 2023. [DOI: 10.1016/j.arabjc.2023.104626] [Reference Citation Analysis]
8 Thilagavathi G, Jayachitra R, Kanagavalli A, Elangovan N, Sirajunnisa A, K.j.rajimon, Sowrirajan S, Thomas R. (E)-4-((4-chlorobenzylidene)amino)-N-(thiazole-2yl) benzenesulfonamide: Synthesis, characterization and electronic structure theory and docking studies. Journal of the Indian Chemical Society 2023. [DOI: 10.1016/j.jics.2023.100910] [Reference Citation Analysis]
9 Jayachitra R, Thilagavathi G, Kanagavalli A, Elangovan N, Sowrirajan S, Thomas R. Photophysical properties of (E)-4-((1-phenylethylidene)amino)-N-(pyrimidin-2-yl) benzenesulfonamide; synthesis, characterization, wavefunction and docking studies. Journal of the Indian Chemical Society 2023. [DOI: 10.1016/j.jics.2023.100903] [Reference Citation Analysis]
10 Demir Y, Türkeş C, Küfrevioğlu Öİ, Beydemir Ş. Molecular Docking Studies and the Effect of Fluorophenylthiourea Derivatives on Glutathione-Dependent Enzymes. Chem Biodivers 2023;20:e202200656. [PMID: 36538730 DOI: 10.1002/cbdv.202200656] [Reference Citation Analysis]
11 Benjamin I, Louis H, O. Ekpen F, Gber TE, Gideon ME, Ahmad I, Unimuke TO, P. Akanimo N, Patel H, Eko IJ, Simon O, Agwamba EC, Ejiofor EU. Modeling the anti-Methicillin-Resistant Staphylococcus aureus (MRSA) Activity of (E)-6-chloro-N2-phenyl-N4-(4-Phenyl-5-(Phenyl Diazinyl)-2λ3, 3 λ2- Thiazol-2-yl)-1, 3, 5-Triazine-2,4- Diamine. Polycyclic Aromatic Compounds 2022. [DOI: 10.1080/10406638.2022.2160773] [Reference Citation Analysis]
12 Tiwari SN, Chauhan MS, Kumar A, Sharma D. Ab-initio and molecular dynamics simulation of a discotic liquid crystal in ionic solution. Molecular Simulation 2022. [DOI: 10.1080/08927022.2022.2159994] [Reference Citation Analysis]
13 Palabıyık E, Sulumer AN, Uguz H, Avcı B, Askın S, Askın H, Demir Y. Assessment of hypolipidemic and anti-inflammatory properties of walnut (Juglans regia) seed coat extract and modulates some metabolic enzymes activity in triton WR-1339-induced hyperlipidemia in rat kidney, liver, and heart. J Mol Recognit 2022;:e3004. [PMID: 36537558 DOI: 10.1002/jmr.3004] [Reference Citation Analysis]
14 Vasilieva EA, Kuznetsova DA, Valeeva FG, Kuznetsov DM, Zakharov AV, Amerhanova SK, Voloshina AD, Zueva IV, Petrov KA, Zakharova LY. Therapy of Organophosphate Poisoning via Intranasal Administration of 2-PAM-Loaded Chitosomes. Pharmaceutics 2022;14. [PMID: 36559339 DOI: 10.3390/pharmaceutics14122846] [Reference Citation Analysis]
15 Demirci Ö, Tezcan B, Demir Y, Taskin-tok T, Gök Y, Aktaş A, Güzel B, Gülçin İ. Acetylphenyl-substituted imidazolium salts: synthesis, characterization, in silico studies and inhibitory properties against some metabolic enzymes. Mol Divers 2022. [DOI: 10.1007/s11030-022-10578-3] [Reference Citation Analysis]
16 Sun S, Shi T, Peng Y, Zhang H, Zhuo L, Peng X, Li Q, Wang M, Wang S, Wang Z. Discovery of pyrrole derivatives as acetylcholinesterase-sparing butyrylcholinesterase inhibitor. Front Pharmacol 2022;13:1043397. [PMID: 36561337 DOI: 10.3389/fphar.2022.1043397] [Reference Citation Analysis]
17 Sagar K, Shamanth S, Kumara K, Lokanath N, Mantelingu K, Kumara M. 2,6-disubstituted imidazothiadiazole 5-carbaldehyde: Synthesis, crystal structure elucidation and in-silico studies. Chemical Data Collections 2022;42:100962. [DOI: 10.1016/j.cdc.2022.100962] [Reference Citation Analysis]
18 Kanagavalli A, Jayachitra R, Thilagavathi G, Padmavathy M, Elangovan N, Sowrirajan S, Thomas R. Synthesis, structural, spectral, computational, docking and biological activities of Schiff base (E)-4-bromo-2-hydroxybenzylidene) amino)-N-(pyrimidin-2-yl) benzenesulfonamide from 5-bromosalicylaldehyde and sulfadiazine. Journal of the Indian Chemical Society 2022. [DOI: 10.1016/j.jics.2022.100823] [Reference Citation Analysis]
19 Kanagavalli A, Thilagavathi G, Jayachitra R, Elangovan N, Sowrirajan S, Shadakshara Murthy KR, Thomas R. Synthesis, Electronic Structure, UV–Vis, Wave Function, and Molecular Docking Studies of Schiff Base (Z)-N-(Thiazol-2-yl)-4-((Thiophene-2-ylmethylene)Amino)Benzenesulfonamide. Polycyclic Aromatic Compounds 2022. [DOI: 10.1080/10406638.2022.2150657] [Reference Citation Analysis]
20 Hamide M, Gök Y, Demir Y, Sevinçek R, Taskin-Tok T, Tezcan B, Aktaş A, Gülçin İ, Aygün M, Güzel B. Benzimidazolium Salts Containing Trifluoromethoxybenzyl: Synthesis, Characterization, Crystal Structure, Molecular Docking Studies and Enzymes Inhibitory Properties. Chem Biodivers 2022;19:e202200257. [PMID: 36260838 DOI: 10.1002/cbdv.202200257] [Reference Citation Analysis]
21 Jayachitra R, Padmavathy M, Kanagavalli A, Thilagavathi G, Elangovan N, S.sowrirajan, Thomas R. Synthesis, computational, experimental antimicrobial activities and theoretical molecular docking studies of (E)-4-((4-hydroxy-3-methoxy-5-nitrobenzylidene) amino)-N-(thiazole-2-yl) benzenesulfonamide. Journal of the Indian Chemical Society 2022. [DOI: 10.1016/j.jics.2022.100824] [Reference Citation Analysis]
22 Tapera M, Kekeçmuhammed H, Tüzün B, Sarıpınar E, Koçyiğit ÜM, Yıldırım E, Doğan M, Zorlu Y. Synthesis, carbonic anhydrase inhibitory activity, anticancer activity and molecular docking studies of new imidazolyl hydrazone derivatives. Journal of Molecular Structure 2022;1269:133816. [DOI: 10.1016/j.molstruc.2022.133816] [Cited by in Crossref: 1] [Cited by in F6Publishing: 1] [Article Influence: 1.0] [Reference Citation Analysis]
23 Vincy CD, George J, Tarika JDD, Balachandar S, Shihab NK, Beaula TJ. Bioactive Small Molecule, Piperazinium Bis(4-Hydroxybenzenesulphonate) upon Spectral Investigation, Hirshfeld Surface Analysis, Molecular Docking and ADMET Prediction: A Complement DFT Calculations. Polycyclic Aromatic Compounds 2022. [DOI: 10.1080/10406638.2022.2150658] [Reference Citation Analysis]
24 Kamel AA, Hashem MK, AbdulKareem ES, Ali AH, Mahmoud EA, Abd-Elkader AS, Abdellatif H, Abdelbadea A, Abdel-Rady NM, Al Anany MGE, Dahpy MA. Significant Interrelations among Serum Annexin A1, Soluble Receptor for Advanced Glycation End Products (sRAGE) and rs2070600 in Chronic Obstructive Pulmonary Disease. Biology (Basel) 2022;11. [PMID: 36552217 DOI: 10.3390/biology11121707] [Reference Citation Analysis]
25 Garima K, Fatima A, Pooja K, Savita S, Sharma M, Kumar M, Muthu S, Siddiqui N, Javed S. Quantum Computational, Spectroscopic, Hirshfeld Surface Analysis of 3-Picoline (Monomer and Dimer) by DFT/TD-DFT with Different Solvents, Molecular Docking, and Molecular Dynamic Studies. Polycyclic Aromatic Compounds 2022. [DOI: 10.1080/10406638.2022.2140681] [Reference Citation Analysis]
26 Subi B, Dhas DA, Joe IH, Balachandran S. 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. Polycyclic Aromatic Compounds 2022. [DOI: 10.1080/10406638.2022.2144916] [Reference Citation Analysis]
27 Bajrai LH, Alharbi AS, El-Day MM, Bafaraj AG, Dwivedi VD, Azhar EI. Identification of Antiviral Compounds against Monkeypox Virus Profilin-like Protein A42R from Plantago lanceolata. Molecules 2022;27. [PMID: 36431817 DOI: 10.3390/molecules27227718] [Reference Citation Analysis]
28 Vishwkarma AK, Yadav T, Brahmachari G, Karmakar I, Yadav P, Saha S, Mahapatra C, Pandey GN, Tripathi CSP, Tripathi PK, Verma VK, Pathak A. Conformational Search and Spectroscopic Analysis of Biorelevant Molecule: 5-Chloro-2-hydroxy-N-isobutyl-3-oxo-2,3-dihydrobenzofuran-2-carboxamide. Polycyclic Aromatic Compounds 2022. [DOI: 10.1080/10406638.2022.2135546] [Reference Citation Analysis]
29 Anitha K, Nataraj A, Narayana B. DFT Investigation, Chemical Reactivity Identification and Molecular Docking of 2(E)˗1˗(3˗Bromothiophene˗2˗yl)˗3˗(Furan˗2˗yl)Prop˗2˗en˗1˗one. Polycyclic Aromatic Compounds 2022. [DOI: 10.1080/10406638.2022.2138920] [Reference Citation Analysis]
30 Vincy CD, Tarika JDD, Sethuram M, Jenepha Mary SJ, Beaula TJ. Quantum Chemical Investigations on the Hydrogen-Bonded Interactions of Bioactive Molecule N2-(4-Methoxysalicylidene) Arginine Hemihydrate. Polycyclic Aromatic Compounds 2022. [DOI: 10.1080/10406638.2022.2138923] [Reference Citation Analysis]
31 Oztaskin N, Goksu S, Demir Y, Maras A, Gulcin İ. Synthesis of Novel Bromophenol with Diaryl Methanes—Determination of Their Inhibition Effects on Carbonic Anhydrase and Acetylcholinesterase. Molecules 2022;27:7426. [DOI: 10.3390/molecules27217426] [Reference Citation Analysis]
32 Qader SW, Suvitha A, Ozdemir M, Benjamin I, Nsa ASR, Akem MU, Frank AE, Eluwa EC. Investigating the physicochemical properties and pharmacokinetics of curcumin employing density functional theory and gastric protection. Chemical Physics Impact 2022. [DOI: 10.1016/j.chphi.2022.100130] [Reference Citation Analysis]
33 Khanum G, Fatima A, Siddiqui N, Butcher RJ, Alsaiari NS, Srivastava SK, Javed S. Experimental Spectroscopic (FT-IR, 1 H and 13 C NMR, ESI-MS, UV) Analysis, Single Crystal X-Ray, Computational, Hirshfeld Analysis, and Molecular Docking of 2-Amino- N -Cyclopropyl-5-Heptylthiophene-3-Carboxamide and Its Derivatives. Polycyclic Aromatic Compounds. [DOI: 10.1080/10406638.2022.2130372] [Reference Citation Analysis]
34 Alharbi AH. Bio-Computational Evaluation of Compounds of Bacopa Monnieri as a Potential Treatment for Schizophrenia. Molecules 2022;27:7050. [DOI: 10.3390/molecules27207050] [Reference Citation Analysis]
35 Demirci Ö, Tezcan B, Demir Y, Taskin-tok T, Gök Y, Aktaş A, Güzel B, Gülçin İ. Acetylphenyl-Substituted Imidazolium Salts: Synthesis, Characterization, in silico Studies and Inhibitory Properties against Some Metabolic Enzymes.. [DOI: 10.21203/rs.3.rs-2161155/v1] [Reference Citation Analysis]
36 Fatima A, Khanum G, Sharma A, Siddiqui N, Butcher RJ, Srivastava SK, Javed S. Synthesis, X-Ray Diffraction, DFT and Hirshfeld Surface Studies of 9-(4-Hydroxyphenyl-Tetramethyl-Hexahydro-1H-Xanthene-1,8(2H)-Dione. Polycyclic Aromatic Compounds. [DOI: 10.1080/10406638.2022.2127804] [Reference Citation Analysis]
37 Thilagavathi G, Kanagavalli A, Jayachitra R, Padmavathy M, Elangovan N, Thomas R. Synthesis, structural, computational, electronic spectra, wave function properties and molecular docking studies of (Z)-4-(((5-methylfuran-2-yl)methylene)amino)-N-(thiazol-2-yl)benzenesulfonamide. Journal of the Indian Chemical Society 2022. [DOI: 10.1016/j.jics.2022.100786] [Reference Citation Analysis]
38 Ganesan TS, Elangovan N, Vanmathi V, Sowrirajan S, Chandrasekar S, Murthy KS, Thomas R. Spectroscopic, Computational(DFT), Quantum mechanical studies and protein-ligand interaction of Schiff base 6,6-((1,2-phenylenebis(azaneylylidene))bis(methaneylylidene))bis(2-methoxyphenol) from o-phenylenediamine and 3- methoxysalicylaldehyde. Journal of the Indian Chemical Society 2022;99:100713. [DOI: 10.1016/j.jics.2022.100713] [Reference Citation Analysis]
39 Muthukumar R, Karnan M, Elangovan N, Karunanidhi M, Sankarapandian V, Thomas R. Synthesis, spectral, computational, wavefunction and molecular docking studies of 4-((thiophene-2-ylmethylene)amino)benzenesulfonamide from sulfanilamide and thiophene-2-carbalaldehyde. Journal of the Indian Chemical Society 2022;99:100718. [DOI: 10.1016/j.jics.2022.100718] [Reference Citation Analysis]
40 Yiğit M, Demir Y, Barut Celepci D, Taskin-Tok T, Arınç A, Yiğit B, Aygün M, Özdemir İ, Gülçin İ. Phthalimide-tethered imidazolium salts: Synthesis, characterization, enzyme inhibitory properties, and in silico studies. Arch Pharm (Weinheim) 2022;:e2200348. [PMID: 36153848 DOI: 10.1002/ardp.202200348] [Reference Citation Analysis]
41 Arshad R, Khan MA, Mutahir S, Hussain S, Al-hazmi GH, Refat MS. DFT, Molecular Docking and ADME Studies of Thiazolidinones as Tyrosinase Inhibitors. Polycyclic Aromatic Compounds. [DOI: 10.1080/10406638.2022.2124286] [Reference Citation Analysis]
42 Korkmaz A, Kurtay G, Kaya E, Bursal E. Design, synthesis, spectroscopic characterizations, in vitro pancreatic lipase as well as tyrosinase inhibition evaluations and in silico analysis of novel aryl sulfonate-naphthalene hybrids. J Biomol Struct Dyn 2022;:1-16. [PMID: 36069113 DOI: 10.1080/07391102.2022.2116600] [Reference Citation Analysis]
43 Zochedh A, Priya M, Chakaravarthy C, Sultan AB, Kathiresan T. Experimental and Computational Evaluation of Syringic Acid – Structural, Spectroscopic, Biological Activity and Docking Simulation. Polycyclic Aromatic Compounds. [DOI: 10.1080/10406638.2022.2118332] [Reference Citation Analysis]
44 Aktaş A, Yakalı G, Demir Y, Gülçin İ, Aygün M, Gök Y. The palladium-based complexes bearing 1,3-dibenzylbenzimidazolium with morpholine, triphenylphosphine, and pyridine derivate ligands: synthesis, characterization, structure and enzyme inhibitions. Heliyon 2022;8:e10625. [PMID: 36185151 DOI: 10.1016/j.heliyon.2022.e10625] [Reference Citation Analysis]
45 Agwamba EC, Benjamin I, Louis H, Udoikono AD, Igbalagh AT, Egemonye TC, Adeyinka AS. Antitubercolusic Potential of Amino-(formylphenyl) Diazenyl-Hydroxyl and Nitro-Substituted Naphthalene-Sulfonic Acid Derivatives: Experimental and Theoretical Investigations. Chemistry Africa 2022. [DOI: 10.1007/s42250-022-00423-3] [Cited by in Crossref: 1] [Article Influence: 1.0] [Reference Citation Analysis]
46 Prabhu AAM, Madi F, Leila N, Kumar GSS, Sathiyaseelan K. Structural Aspects and Stability of Interactions between Phenyl-3,3'-Bis(Indolyl)Methanes and β-Cyclodextrin from Density Functional Theory. Polycyclic Aromatic Compounds. [DOI: 10.1080/10406638.2022.2101490] [Cited by in Crossref: 1] [Cited by in F6Publishing: 1] [Article Influence: 1.0] [Reference Citation Analysis]
47 Vennila M, Rathikha R, Muthu S, Jeelani A, Irfan A. Structural, spectral inspection, electronic properties in different solvents, Fukui functions, 6-acetyl-2H-1,4-benzoxazin-3(4H)-one – Multiple sclerosis and auto immune disorders therapeutics. Journal of Molecular Liquids 2022;359:119248. [DOI: 10.1016/j.molliq.2022.119248] [Cited by in Crossref: 1] [Cited by in F6Publishing: 2] [Article Influence: 1.0] [Reference Citation Analysis]
48 Bencheikh B, Cheriet M, Djemil R, Khatmi D. In Silico Study of Selected Natural Products as SARS-CoV-2 M Pro Binder: Molecular Docking and Molecular Dynamics Simulation. Polycyclic Aromatic Compounds. [DOI: 10.1080/10406638.2022.2097279] [Reference Citation Analysis]
49 R A, C S, A P, R K. Spectroscopic and Molecular Docking Studies of a Novel Biologically Active Heterocyclic Compound 2-Chloro-6-Methoxypyridine-4-Carboxylic Acid by Quantum Computational Method. Polycyclic Aromatic Compounds. [DOI: 10.1080/10406638.2022.2102664] [Reference Citation Analysis]
50 Dhonchak C, Agnihotri N, Javed S, Khanum G. Spectroscopic Quantum Chemical and Molecular Docking Study of 5,7-Dibromo-8-Quinolinol and Its Spectrophotometrically Investigated Niobium (V) Complex. Polycyclic Aromatic Compounds. [DOI: 10.1080/10406638.2022.2097280] [Reference Citation Analysis]
51 Priscilla J, Arul Dhas D, Hubert Joe I, Ronaldo Anuf A. Spectroscopic Investigation, DFT Calculations, anti-Inflammatory Activity and Molecular Dynamic Simulation Study on Fagaramide Alkaloid. Polycyclic Aromatic Compounds. [DOI: 10.1080/10406638.2022.2094973] [Reference Citation Analysis]
52 Özaslan MS, Sağlamtaş R, Demir Y, Genç Y, Saraçoğlu İ, Gülçin İ. Isolation of Some Phenolic Compounds from Plantago subulata L. and Determination of Their Antidiabetic, Anticholinesterase, Antiepileptic and Antioxidant Activity. Chem Biodivers 2022;:e202200280. [PMID: 35796520 DOI: 10.1002/cbdv.202200280] [Cited by in Crossref: 1] [Cited by in F6Publishing: 1] [Article Influence: 1.0] [Reference Citation Analysis]
53 Gendy EA, Khodair AI, Fahim AM, Oyekunle DT, Chen Z. Synthesis, characterization, antibacterial activities, molecular docking, and computational investigation of novel imine-linked covalent organic framework. Journal of Molecular Liquids 2022;358:119191. [DOI: 10.1016/j.molliq.2022.119191] [Cited by in Crossref: 1] [Cited by in F6Publishing: 2] [Article Influence: 1.0] [Reference Citation Analysis]
54 Celik I, Rudrapal M, Yadalam PK, Chinnam S, Balaji TM, Varadarajan S, Khan J, Patil S, Walode SG, Panke DV. Resveratrol and Its Natural Analogues Inhibit RNA Dependant RNA Polymerase (RdRp) of Rhizopus oryzae in Mucormycosis through Computational Investigations. Polycyclic Aromatic Compounds. [DOI: 10.1080/10406638.2022.2091618] [Cited by in Crossref: 1] [Cited by in F6Publishing: 1] [Article Influence: 1.0] [Reference Citation Analysis]
55 Sattari Alamdar S, Foroughifar N, Shahi M, Balali E. Synthesis, Biological Activitiy and DFT Study of New Azaphenalene Derivatives. Polycyclic Aromatic Compounds. [DOI: 10.1080/10406638.2022.2089700] [Reference Citation Analysis]
56 Korkmaz IN, Türkeş C, Demir Y, Özdemir H, Beydemir Ş. Methyl benzoate derivatives: in vitro Paraoxonase 1 inhibition and in silico studies. J Biochem Mol Toxicol 2022;:e23152. [PMID: 35708184 DOI: 10.1002/jbt.23152] [Cited by in Crossref: 4] [Cited by in F6Publishing: 4] [Article Influence: 4.0] [Reference Citation Analysis]
57 Ramesh G, Reddy BV. Investigation of Barrier Potential, Structure (Monomer & Dimer), Chemical Reactivity, NLO, MEP, and NPA Analysis of Pyrrole-2- Carboxaldehyde Using Quantum Chemical Calculations. Polycyclic Aromatic Compounds. [DOI: 10.1080/10406638.2022.2086889] [Reference Citation Analysis]
58 Fatima A, Singh M, Abualnaja KM, Althubeiti K, Muthu S, Siddiqui N, Javed S. Experimental Spectroscopic, Structural (Monomer and Dimer), Molecular Docking, Molecular Dynamics Simulation and Hirshfeld Surface Analysis of 2-Amino-6-Methylpyridine. Polycyclic Aromatic Compounds. [DOI: 10.1080/10406638.2022.2080726] [Reference Citation Analysis]
59 Chandrasekaran R, Murugavel S, Silambarasan T. Computer Aided Drug Design of 1,2,3-Triazole Fused Bioactive Derivative Targeting Glucosamine-6-Phosphate Synthase (GlmS) – XRD, Computational Crystallography, and Molecular Simulation Approach. Polycyclic Aromatic Compounds. [DOI: 10.1080/10406638.2022.2067196] [Reference Citation Analysis]
60 Zainuri DA, Abdullah M, Arshad S, Razak IA. Nonlinear Optical Behavior Due to Charge Transfer within Selected Heterocyclic Anthracenyl Chalcones under Continuous Wave Laser Excitation. Polycyclic Aromatic Compounds. [DOI: 10.1080/10406638.2022.2068621] [Reference Citation Analysis]
61 Saedi AM, Farghaly TA, Shaaban MR. Fluorinated azole anticancer drugs: Synthesis, elaborated structure elucidation and docking studies. Arabian Journal of Chemistry 2022;15:103782. [DOI: 10.1016/j.arabjc.2022.103782] [Reference Citation Analysis]
62 Wang Z, Duan S, Fang B, Liu Z, Zhang R, Ma L, Lin K. Identification of the Molecular Structure of Mandelic Acid in Solid and Aqueous Solutions by Raman Spectra in the C-H/C-D Stretching Region. Vibrational Spectroscopy 2022. [DOI: 10.1016/j.vibspec.2022.103382] [Reference Citation Analysis]
63 Eno EA, Mbonu JI, Louis H, Patrick-inezi FS, Gber TE, Unimke TO, Okon EE, Benjamin I, Offiong OE. Antimicrobial activities of 1-phenyl-3-methyl-4-trichloroacetyl-pyrazolone: Experimental, DFT studies, and molecular docking investigation. Journal of the Indian Chemical Society 2022. [DOI: 10.1016/j.jics.2022.100524] [Cited by in Crossref: 10] [Cited by in F6Publishing: 13] [Article Influence: 10.0] [Reference Citation Analysis]
64 Pooja K, Fatima A, Sharma A, Garima K, Savita S, Kumar M, Verma I, Siddiqui N, Javed S. Experimental, theoretical, hirschfeld surface, electronic excitation and molecular docking studies on fomepizole(4-Methyl-1H-pyrazole). Journal of Molecular Structure 2022;1256:132549. [DOI: 10.1016/j.molstruc.2022.132549] [Reference Citation Analysis]
65 Muthukumar R, Karnan M, Elangovan N, Karunanidhi M, Thomas R. Synthesis, spectral analysis, antibacterial activity, quantum chemical studies and supporting molecular docking of Schiff base (E)-4-((4-bromobenzylidene) amino)benzenesulfonamide. Journal of the Indian Chemical Society 2022;99:100405. [DOI: 10.1016/j.jics.2022.100405] [Cited by in Crossref: 7] [Cited by in F6Publishing: 4] [Article Influence: 7.0] [Reference Citation Analysis]
66 Thangarasu S, Chitradevi A, Siva V, Shameem A, Murugan A, Viswanathan TM, Athimoolam S, Bahadur SA. Structural, Spectroscopic, Cytotoxicity and Molecular Docking Studies of Charge Transfer Salt: 4-Aminiumantipyrine Salicylate. Polycyclic Aromatic Compounds. [DOI: 10.1080/10406638.2022.2064883] [Reference Citation Analysis]
67 Natchimuthu V, Abdalla M, Yadav M, Chopra I, Bhrdwaj A, Sharma K, Ravi S, Ravikumar K, Alzahrani KJ, Hussain T, Nayarisseri A. Synthesis, crystal structure, hirshfeld surface analysis, molecular docking and molecular dynamics studies of novel olanzapinium 2,5-dihydroxybenzoate as potential and active antipsychotic compound. Journal of Experimental Nanoscience 2022;17:247-73. [DOI: 10.1080/17458080.2022.2063278] [Reference Citation Analysis]
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