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80 Results       Page 1

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Wiley: ChemistrySelect
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1 [GO] 2025―May―03 Investigating DNA Aptamer Binding to Domains of the SARS-CoV-2 Spike Protein: Insights from Molecular Dynamics and MM/PBSA Analysis Sarah Bartley, Kristen Rhinehardt, Kristen Dellinger
2 [GO] 2025―Apr―28 Phytochemical Inhibitors of SARS-CoV-2 Entry: Targeting the ACE2-RBD Interaction with l-Tartaric Acid, l-Ascorbic Acid, and Curcuma longa Extract Nouhaila Najimi, Ayoub Amssayef, Ismail Bouadid, Mohammed Hakmi, Rihab Festali, Chaimae Kadi, et al. (+4)
3 [GO] 2025―Apr―21 In Vitro Evaluation of a Herbal Oil Combination: a Potential Phytopharmaceutical Targeting TMPRSS2, Furin, and ACE2 in SARS-COV-2 Infection Vildan Betul Yenigun, Ebru Kanimdan, Abdurrahim Kocyigit
4 [GO] 2025―Apr―15 Exploring Gingerol Substructures as Potential SARS-CoV-2 RBD Inhibitors: An Integrated Machine Learning and In Silico Approach Sherin D. R., Linda S. R., Akhila A.
5 [GO] 2025―Apr―14 Investigation of the Interaction Between 4-Thiazolidinone Derivatives and SARS-CoV-2 Mpro Using Spectroscopy and Microscale Thermophoresis Leyao Chen, Nuoya Wang, Xiaoyu Chang, Ruiyong Wang
6 [GO] 2025―Apr―05 Dissecting the Molecular Mechanism Concerning Conformational Changes of SARS-CoV-2 Main Protease Mediated by Binding of Natural Phytochemicals via Molecular Dynamics Simulations Chaoyue Jia, Yanqi Sun, Jianzhong Chen, Xinguo Liu
7 [GO] 2025―Apr―03 Recent Technologies for the Determination of SARS-CoV-2 in Wastewater Nolwazi T. Gazu, Aoife Morrin, Xolile Fuku, Bhekie B. Mamba, Usisipho Feleni
8 [GO] 2025―Mar―23 Virtual Screening and Molecular Simulation Uncover Potent Traditional Chinese Medicine Small Molecules Against SARS-CoV-2 Mpro Di Han, Hongkun Yang, Yunlong Gao, Yiwei Xue, Fengxiang Liu, Meiting Wang, et al. (+3)
9 [GO] 2025―Feb―21 Red Yeast Rice Derived Carbon Dots with Antiviral Activity to Block Coronavirus Infection Zhannuo Zhang, Hanqi Zuo, Shaolong Qiu, Jinyu Zhang, Ting Du, Xinjun Du
10 [GO] 2025―Feb―18 RETRACTION: Molecular Simulation of the Effect of Electron Donor/Acceptor Groups on Fluvoxamine/Serotonin Interactions as a Strategy for COVID-19 Mitigation
11 [GO] 2025―Jan―30 In Silico Study of Two Linear Furanocoumarins for Dual Inhibition of Human Rhinovirus and SARS-CoV-2 Bel Youssouf G. Mountessou, Maraf B. Mbah, Nadine T. Wandji, Eric O. Akintemi, Hans-Georg Stammler, Simeon F. Kouam, et al. (+2)
12 [GO] 2025―Jan―28 In-Silico Screening, Molecular Dynamics, and DFT Analysis of ZINC and ChEMBL Library Compounds for SARS-CoV-2 Main Protease Inhibition Soumya Verma, Amit Dubey, Rashika Singh, Rajratna Tayade, Vipin Kumar Mishra
13 [GO] 2024―Dec―13 One-Pot Synthesis of Fluorinated Amino Pyrimidines: Molecular Docking, ADME, and DFT Insights for SARS-CoV-2 MPro Inhibition Nishtha Bhagat, Avinabh Choudhary, Poonam Kumari, Pradeep Kumar, Sunita Bhagat
14 [GO] 2024―Dec―13 A Practical Spectroscopic Protocol Based on Sialic Acid-S-Protein Interaction for SARS-CoV-2 Detection Vasfiye Hazal Özyurt, Burak Ekrem Çitil, Ülkü Anik
15 [GO] 2024―Oct―24 Triple Inhibition of SARS-CoV-2 by Rhenium(I) Acetylacetonato Tricarbonyl Phosphine Complexes: Structural Features, DFT Calculations, HS Analysis and In Silico Molecular Docking Study Amanda-Lee E. Manicum, Amani Direm, Hamza Athmani, Farida Hakkar, Cemal Parlak, Hendrik G. Visser, et al. (+2)
16 [GO] 2024―Sep―27 Exploring New Small Molecule Inhibitors for SARS-CoV-2 3CLpro: A Comprehensive Computational Study José Manuel Hernández-Hernández, Rodolfo Daniel Ávila-Avilés
17 [GO] 2024―Aug―29 Antiviral Effects of Silver, Copper Oxide, Cerium Oxide, and Cobalt Oxide Nanoparticles and Silver and Copper Sheets Against COVID-19 Aida Norouzi, Sobhan Mansouri, Rozita Mardani, Mohammad Hadi Nematollahi, Moslem Abolhassani, Mohammad Erfan Norouzmahani, et al. (+3)
18 [GO] 2024―Jul―19 Construction of a Voltammetric Sensor Based on Niobium Supported on Zirconium Oxide-Carbon Nanotubes for the Determination of Favipiravir, an Antiviral Drug Used Against Covid-19 Ayşegül Kutluay Baytak, Mehmet Aslanoglu
19 [GO] 2024―Jun―24 Developing Correlation Between In Silico Molecular Modeling and In Vitro α-Amylase, Anti-Cancer and SARS-COV-2 Studies of Bis-Indole Derived Triazine-Based Thiazolidinone Hybrid Derivatives Shoaib Khan, Rafaqat Hussain, Yousaf Khan, Tayyiaba Iqbal, Khurram Shoaib, Uzma Jehangir, et al. (+2)
20 [GO] 2024―Jun―07 Nirmatrelvir, A COVID-19 Drug, and Human Serum Albumin: Computational Analysis of Their Molecular Interactions Mujaheed Abubakar, Saharuddin Bin Mohamad, Mohammed Suleiman Zaroog, Tooba Mahboob, Mogana Sundari Rajagopal, Saad Tayyab
21 [GO] 2024―Apr―25 Cheminformatics and QSAR-Based Identification of Natural Bioactive Compounds as Potent Inhibitors of SARS-CoV-2 N-7 Methyltransferases Jobin Thomas, Jitendra Satija
22 [GO] 2024―Apr―15 Nucleoside-Based Drug Target with General Antimicrobial Screening and Specific Computational Studies against SARS-CoV-2 Main Protease Sarkar M. A. Kawsar, Md. Ahad Hossain, Supriyo Saha, Emad M. Abdallah, Ajmal R. Bhat, Sumeer Ahmed, et al. (+2)
23 [GO] 2024―Apr―11 Evaluating Terrestrol A as an Inhibitor Against SARS-CoV-2and Invasive Fungal Pathogens: A Comprehensive Computational Analysis Basanta Singha, Bhoomika Arora, Rituparna Karmaker, Kikoleho Richa, Naruti Longkumer, Haider Thaer Abdulhameed, et al. (+2)
24 [GO] 2024―Mar―13 Identification of Volatile Markers in Sweat for COVID-19 Screening by Gas Chromatography-Mass Spectrometry Suriwipa Chuachaina, Isaya Thaveesangsakulthai, Pornpawit Sinsukudomchai, Pakpum Somboon, Jantima Traipattanakul, Pattama Torvorapanit, et al. (+3)
25 [GO] 2024―Mar―09 A Search for Sars-CoV-2 Main Protease Inhibitors: Synthesis and Docking Study of Steroidal Dinitriles Andrea R. Nikolić, Ivana Z. Kuzminac, Edward T. Petri, Andjelka S. Ćelić, Marija N. Sakač
26 [GO] 2024―Feb―22 A Theoretical Study To Understand the Impact of Mpro of nCoV on the Hormones Madhur Babu Singh, Sandeep Yadav, Prashant Singh
27 [GO] 2024―Feb―13 Identifying the Degradation Products of Dexamethasone for COVID-19 Treatment in Mexico City's Wastewater: Theory and Experiments Andoni Udaeta, Mario Rodríguez-Varela, Yair Cruz-Narváez, José J. Castro-Arellano, Rodolfo Zanella, Juan C. Durán-Álvarez, Ana E. Torres
28 [GO] 2024―Feb―13 Potential Inhibitors from Natural Compounds against SARS-CoV-2 Main Protease: A Systematic Molecular Modelling Approach Kannan Raman, Rajagopal Kalirajan, Fahadul Islam, Mehrukh Zehravi, Laliteshwar Pratap Singh, Ritesh Rana, et al. (+9)
29 [GO] 2024―Jan―03 Using Gas Chromatography-Ion Mobility Spectrometry to Investigate Volatile Compound Profiles in Human Sweat during COVID-19 Vaccination Sorachar Phusrisom, Nuttanee Tungkijanansin, Patthrarawalai Sirinara, Chadin Kulsing
30 [GO] 2023―Dec―20 In Silico Antiviral Drug Repurposing Against COVID-19 Infection: Targeting the Main Protease and Human ACE2 Receptor Manoharan Rupavarshini, Subramani Karthikeyan
31 [GO] 2023―Dec―14 Molecular Docking Studies of Boron-Containing Compounds as Dual Inhibitors of SARS-Cov-2 Spike Receptor Binding Domain/ACE2 Complex and Main Protease and ADMET Investigations Selami Ercan, Meryem Pir
32 [GO] 2023―Dec―12 Interface-Guided Computational Protein Design Reveals Bebtelovimab-Resistance Mutations in SARS-CoV-2 RBD: Correlation with Global Viral Genomes and Bebtelovimab-Escape Mutations Shweata Maurya, Shivank Kumar, Aditya K. Padhi
33 [GO] 2023―Nov―09 Molecular Simulation of the Effect of Electron Donor/Acceptor Groups on Fluvoxamine/Serotonin Interactions as a Strategy for COVID-19 Mitigation Hamid Hadi, Hitler Louis, Komeil Jafari, Terkumbur E. Gber, Nnenna A. Onwuabusim
34 [GO] 2023―Nov―03 Exploring the Potential of Vortioxetine Derivatives as Inhibitors of SARS-CoV-2 Main Protease: A Computational Study Aizhen Zhou, Li Wang, Jie Zou, Shuwei Ma, Yahong Zhou, Juan Wang, et al. (+2)
35 [GO] 2023―Oct―19 Evaluating the Antiviral Potential of Phytocompounds from Mesua ferrea against SARS-CoV-2 Main Protease: Structure-Based Virtual Screening and Molecular Dynamics Simulation Investigations Priyanka Purohit, Partha Sarathi Sahoo, Madhusmita Panda, Kuna Kabasi, Sunil Kumar Senapati, Biswa Ranjan Meher
36 [GO] 2023―Sep―01 Giant Plasma Membrane Vesicles as Cellular-Mimics for Probing SARS-CoV-2 Binding at Single Particle Level Manorama Dey, Garvita Dhanawat, Divya Gupta, Ayush Goel, Krishnan H Harshan, Nagma Parveen
37 [GO] 2023―Aug―25 Targeting Spike-ACE2 Interface of SARS-CoV-2 and its Omicron Variant: A Comparative Screening of Potential Inhibitors for Existing and Anticipating Variants Using Molecular Modelling Approach Dineshbabu Takkella, Sudhanshu Sharma, Radoslaw Krzemieniecki, Ashok Pabbathi, Subrahmanyam Sappati, Krishna Gavvala
38 [GO] 2023―Jul―26 Insights into the Interaction Mechanism of Boceprevir with SARS-CoV-2 Main Protease Gurmeet Kaur, Bhupesh Goyal
39 [GO] 2023―Jun―24 Design and Synthesis of Michael Acceptor-Based Peptidyl β-Nitrostyrenes as 3CLpro Inhibitors of SARS-CoV-2 Sweta Sharma, Prasanna Anjaneyulu Yakkala, Jyoti Aboti, Insha Latief, Mairaj Ahmed Ansari, Wajihul Hasan Khan, Syed Shafi
40 [GO] 2023―Jun―14 Pharmacological Potential of Pyrmidine Derivatives: A Review With Emphasis on Antiviral Effects and Virtual Screening Against Sars-Cov-2 Molecular Targets Érick Caique Santos Costa, Zenaide S. Monte, Emerson P. S. Falcão, Mayara dos Santos Maia, Renata Priscila Barros de Menezes, Luciana Scotti, et al. (+2)
41 [GO] 2023―Jun―08 Ferric Ions Modulated Carbon Dots as a Fluorescent Probe for the Detection of Neopterin: An Inflammatory Prognostic Marker for Risk Prediction and Severity of Covid-19 S. Madanan Anju, Aswathy O. Asokan, Susan Varghese, K. Abraham Merin, Ali Ibrahim Shkhair, Vidya Jose, et al. (+2)
42 [GO] 2023―Jun―02 Molecular Dynamics and Free Energy Landscape Study of SARS-CoV-2 Omicron Mpro Boswellic acid Compounds of Boswellia Serrata Inhibitors K. S. Sandhya, B. Arunkumar, L. P. Shiny, S. Nair Achuthsankar
43 [GO] 2023―May―16 Synthesis and Virtual Screening of Pyrazolothiazole Conjugates as Promising SARS-CoV-2 Inhibitors Amal F. Seliem
44 [GO] 2023―Apr―12 New 2-Phenylquinoline-Based Bis-Methoxymethyl-1,2,3-Triazoles as Potential Antimicrobial Agents: Synthesis and Molecular Docking Studies against COVID-19 Gugulothu Yaku, Dhanavath Ramulu, Vishnu Thumma, Anjaiah Paluri, Ravinder Dharavath
45 [GO] 2023―Mar―23 On Water Pictet-Spengler Reaction of Tryptophan followed by Buchwald Coupling for the Synthesis of Natural Products Stellarines A, B and β-Carboline Derivatives: Their Molecular Docking against SARS-CoV-2 M Pro Pankaj Sharma, Pradeep Kumar, Nutan Sharma, Sunita Bhagat
46 [GO] 2023―Mar―01 The SARS-CoV-2 Omicron Variant and its Multiple Sub-lineages: Transmissibility, Vaccine Development, Antiviral Drugs, Monoclonal Antibodies, and Strategies for Infection Control - a Review Ranjan K. Mohapatra, Sarika Verma, Venkataramana Kandi, Ashish K. Sarangi, Veronique Seidel, Subrata Narayan Das, et al. (+4)
47 [GO] 2023―Feb―16 COVID-19: Prevention, Detection, and Treatment by Using Carbon Nanotubes-Based Materials Mohd Hayrie Mohd Hatta, Juan Matmin, Nik Ahmad Nizam Nik Malek, Farah Hidayah Kamisan, Aishah Badruzzaman, Kalaivani Batumalaie, et al. (+2)
48 [GO] 2023―Feb―08 Voltammetric Sensors: A Versatile Tool in COVID-19 Diagnosis and Prognosis Souparnika Nambiar, Malavika Mohan, Ammu Rosin Jose
49 [GO] 2023―Jan―24 Water-SDS-Ionic Liquid Catalytic System for the Synthesis of Pyrano-chromenes and in-silicio Approach to Predict Inhibitory Activity Against Mpro of SARS-CoV-2** Abhijit Rudra Paul, Sudhan Debnath, Swapan Majumdar
50 [GO] 2023―Jan―02 An scFv-Based Impedimetric Immunosensor Using SPCE/AuNP for RBD of SARS-CoV-2 Detection Ghina Nur Fadhilah, Muhammad Yusuf, Arum Kurnia Sari, Taufik Ramdani Tohari, Hesti Lina Wiraswati, Savira Ekawardhani, et al. (+4)
51 [GO] 2022―Dec―09 Synthesis and In Silico Investigation of Isatin-Based Schiff Bases as Potential Inhibitors for Promising Targets against SARS-CoV-2 Zohreh Esam, Malihe Akhavan, Maryam Lotfi, Ahmadreza Bekhradnia
52 [GO] 2022―Dec―02 Alcohol-based Hand Sanitizers amid COVID-19: Chemical Formulation, Analysis, Safety Monarul Islam, Khondoker Shahin Ahmed, Rezaul Karim, Bikash Dev Nath, Shyama Prosad Moulick, Rashedul Islam, et al. (+6)
53 [GO] 2022―Oct―06 Docking and Molecular Dynamics Simulations of Flavonoids as Inhibitors of Infectious Agents: Rutin as a Coronavirus Protease Inhibitor Navvabeh Salarizadeh, Mohammad Reza Aallaei, Ali Zarei, Rahime Eshaghi Malekshah, Elaheh Molaakbari, Amirreza Farajnezhadi
54 [GO] 2022―Oct―04 Chitosan-Based Formulations Intended as Protective Spray for Mask Surfaces in Prevention of Coronavirus Dissemination Victoria Belen Ayala-Peña, María Julia Martin, Florencia Favatela, Jessica Otarola, Pedro Morán, María Ventura, et al. (+7)
55 [GO] 2022―Oct―04 A Short Review Comparing Carbon-Based Electrochemical Platforms With Other Materials For Biosensing SARS-Cov-2 Isha Soni, Pankaj Kumar, Gururaj Kudur Jayaprakash, Anup Pandith
56 [GO] 2022―Sep―22 Designing of Thiazolidinones for COVID-19 and its Allied Diseases: An In silico Evaluation Muhammad Asam Raza, Umme Farwa, Nida Qurat Ul Ain, Fatima Ishaque, Muhammad Yaseen, Muhammad Naveed, Muhammad Aqib Shabbir
57 [GO] 2022―Aug―01 Structural and Molecular Packing study of Three New Amidophosphoric Acid Esters and Assessment of Their Inhibiting Activity Against SARS-CoV-2 by Molecular Docking Nafiseh Heidari, Atekeh Tarahhomi, Arie van der Lee
58 [GO] 2022―Jul―26 Bis(thio)carbohydrazone Luminogens with AIEE and ACQ Features and Their In Silico Investigations with SARS-CoV-2 K. K. Mohammed Hashim, E. Manoj, M. R. Prathapachandra Kurup
59 [GO] 2022―Apr―20 Design, Synthesis, and Development of 4-[(7-Chloroquinoline-4-yl)amino]phenol as a Potential SARS-CoV-2 Mpro Inhibitor James Guevara-Pulido, Ronald A Jiménez, Sandra J. Morantes, Deissy N. Jaramillo, Paola Acosta-Guzmán
60 [GO] 2022―Mar―28 Anti-Inflammatory, Antiallergic and COVID-19 Main Protease (M pro ) Inhibitory Activities of Butenolides from a Marine-Derived Fungus Aspergillus costaricaensis Ibrahim S. Uras, Michal Korinek, Amgad Albohy, Basma S. Abdulrazik, Wenhan Lin, Sherif S. Ebada, Belma Konuklugil
61 [GO] 2022―Mar―14 An Electrochemical Biosensing Platform for the SARS-CoV-2 Spike Antibody Detection Based on the Functionalised SARS-CoV-2 Spike Antigen Modified Electrode Lokman Liv, Hilal Kayabay
62 [GO] 2022―Feb―17 Identification of a Potential mRNA-based Vaccine Candidate against the SARS-CoV-2 Spike Glycoprotein: A Reverse Vaccinology Approach Olanrewaju Ayodeji Durojaye, Divine Mensah Sedzro, Mukhtar Oluwaseun Idris, Abeeb Abiodun Yekeen, Adeola Abraham Fadahunsi, Oluwaseun Suleiman Alakanse
63 [GO] 2021―Dec―16 Synthetic Coumarin Derivatives as SARS-CoV-2 Major Protease Inhibitors: Design, Synthesis, Bioevaluation and Molecular Docking Nada M. Mohamed, Rania F. A. Eltelbany
64 [GO] 2021―Dec―08 Potential Protein and Enzyme Targets for In-silico Development and Repurposing of Drug Against Coronaviruses Amit Lochab, Rakhi Thareja, Sangeeta D. Gadre, Reena Saxena
65 [GO] 2021―Dec―01 Favipiravir (6-Fluoro-3-hydroxy-2-pyrazinecarboxamide) a Broad Spectrum Inhibitor of Viral RNA Polymerase in COVID-19 Treatment Santosh L. Gaonkar, Deepika D, Sushruta S. Hakkimane
66 [GO] 2021―Nov―09 An Update on Pharmacological Relevance and Chemical Synthesis of Natural Products and Derivatives with Anti SARS-CoV-2 Activity Irshad Ahmad
67 [GO] 2021―Sep―01 Comparative MD Study of Inhibitory Activity of Opaganib and Adamantane-Isothiourea Derivatives toward COVID-19 Main Protease M pro Jelena Đorović Jovanović, Marko Antonijević, Ali A. El-Emam, Zoran Marković
68 [GO] 2021―Aug―17 Potential Use of DMSA-Containing Iron Oxide Nanoparticles as Magnetic Vehicles against the COVID-19 Disease Elisama S. Martins, Ariane Espindola, Tatiane N. Britos, Camila Chagas, Emerson Barbosa, Carlos E. Castro, et al. (+2)
69 [GO] 2021―Aug―17 Molecular Level Dissection of Critical Spike Mutations in SARS-CoV-2 Variants of Concern (VOCs): A Simplified Review Nilesh Joshi, Adish Tyagi, Sandeep Nigam
70 [GO] 2021―Aug―11 Computational Studies of Selected Transition Metal Complexes as Potential Drug Candidates against the SARS-CoV-2 Virus Maynak Pal, Dulal Musib, Aniket J. Zade, Neeta Chowdhury, Mithun Roy
71 [GO] 2021―Jun―19 Identification of SARS-CoV-2 Main Protease Inhibitors Using Structure Based Virtual Screening and Molecular Dynamics Simulation of DrugBank Database Pradip Debnath, Samhita Bhaumik, Debanjan Sen, Ravi K. Muttineni, Sudhan Debnath
72 [GO] 2021―Apr―15 Novel 1,2,3-Triazole Derivatives as Potential Inhibitors against Covid-19 Main Protease: Synthesis, Characterization, Molecular Docking and DFT Studies Mohamed Reda Aouad, Daoud J. O. Khan, Musa A. Said, Nadia S. Al-Kaff, Nadjet Rezki, Adeeb A. Ali, et al. (+2)
73 [GO] 2021―Mar―01 COVID-19 into Chemical Science Perspective: Chemical Preventive Measures and Drug Development Bimalendu Adhikari, Nihar Sahu
74 [GO] 2020―Dec―08 Current Trends in Analytical Methods for the Determination of Hydroxychloroquine and Its Application as Treatment for COVID-19 Moulay Abderrahim El Mhammedi, Sanaa Saqrane, Sara Lahrich, Fathellah Laghrib, Younes El Bouabi, Abdelfettah Farahi, Mina Bakasse
75 [GO] 2020―Nov―16 Natural Products Database Screening for the Discovery of Naturally Occurring SARS-Cov-2 Spike Glycoprotein Blockers Abdullah G. Al-Sehemi, Fisayo A. Olotu, Sanal Dev, Mehboobali Pannipara, Mahmoud E. Soliman, Simone Carradori, Bijo Mathew
76 [GO] 2020―Sep―16 A Concise Review of Baseline Facts of SARS-CoV-2 for Interdisciplinary Research Adish Tyagi, Sandeep Nigam, Rohit Singh Chauhan
77 [GO] 2020―Aug―12 In Silico Identification of Potential Inhibitors of ADP-Ribose Phosphatase of SARS-CoV-2 nsP3 by Combining E-Pharmacophore- and Receptor-Based Virtual Screening of Database Pradip Debnath, Bimal Debnath, Samhita Bhaumik, Sudhan Debnath
78 [GO] 2020―Jul―06 COVID-19: Emergence of Infectious Diseases, Nanotechnology Aspects, Challenges, and Future Perspectives Akanksha Gupta, Sanjay Kumar, Ravinder Kumar, Ashish Kumar Choudhary, Kamlesh Kumari, Prashant Singh, Vinod Kumar
79 [GO] 2020―Jun―02 Evaluation of the Inhibitory Activities of COVID-19 of Melaleuca cajuputi Oil Using Docking Simulation Tran Thi Ai My, Huynh Thi Phuong Loan, Nguyen Thi Thanh Hai, Le Trung Hieu, Tran Thai Hoa, Bui Thi Phuong Thuy, et al. (+9)
80 [GO] 2020―May―12 Synthesis, Spectroscopic Characterizations of Novel Norcantharimides, Their ADME Properties and Docking Studies Against COVID-19 M pr ° Hamdi Özkan, Şevki Adem
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80 Results       Page 1


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