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original article |
Date |
Title |
Authors All Authors |
1 |
[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 |
2 |
[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 |
3 |
[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) Marietjie Schutte-Smith, Ponnadurai Ramasami |
4 |
[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 |
5 |
[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) Atefeh Najmadini, Ali Abbasi Sardari, Gholamreza Asadikaram |
6 |
[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 |
7 |
[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) M. M. Khowdiary, Shifa Felemban |
8 |
[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 |
9 |
[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 |
10 |
[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) Joazaizulfazli Jamalis, Yasuhiro Ozeki |
11 |
[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) Mohammad Abid, Upasana Bora Sinha |
12 |
[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) Kaywalee Chatdarong, Chadin Kulsing, Thumnoon Nhujak |
13 |
[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 |
14 |
[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 |
15 |
[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 |
16 |
[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) Sankaranarayanan Murugesan, Srikanth Jupudi, Shopnil Akash, Gowramma Byran, Firzan Nainu, Talha Bin Emran, Turki M. Dawoud, Mohammed Bourhia, Rashu Barua |
17 |
[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 |
18 |
[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 |
19 |
[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 |
20 |
[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 |
21 |
[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 |
22 |
[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) Na Li, Bin Cheng |
23 |
[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 |
24 |
[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 |
25 |
[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 |
26 |
[GO] |
2023―Jul―26 |
Insights into the Interaction Mechanism of Boceprevir with SARS-CoV-2 Main Protease |
Gurmeet Kaur, Bhupesh Goyal |
27 |
[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 |
28 |
[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) Marcus Tullius Scotti, Sebastião José de Melo |
29 |
[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) S. Sasidharanpillai. Syamchand, Sony George |
30 |
[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 |
31 |
[GO] |
2023―May―16 |
Synthesis and Virtual Screening of Pyrazolothiazole Conjugates as Promising SARS-CoV-2 Inhibitors |
Amal F. Seliem |
32 |
[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 |
33 |
[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 |
34 |
[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) Ajit Behera, Hardeep Singh Tuli, Ashwani K. Sharma, Kuldeep Dhama |
35 |
[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) Siew Ling Lee, Roswanira Abdul Wahab |
36 |
[GO] |
2023―Feb―08 |
Voltammetric Sensors: A Versatile Tool in COVID-19 Diagnosis and Prognosis |
Souparnika Nambiar, Malavika Mohan, Ammu Rosin Jose |
37 |
[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 |
38 |
[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) Lia Faridah, Nisa Fauziah, Isa Anshori, Yeni Wahyuni Hartati |
39 |
[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 |
40 |
[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) Sharkar Md. Mahmudul Hassan, Hemayet Hossain, Mohammad Moniruzzaman, M. Sarwar Jahan, Aftab Ali Shaikh, Paris E. Georghiou |
41 |
[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 |
42 |
[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) Claudia Gentili, María Florencia Salcedo, Andrea Mansilla, Sandra Pérez, Guillermina Dolcini, Vera Alvarez, Verónica Lassalle |
43 |
[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 |
44 |
[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 |
45 |
[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 |
46 |
[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 |
47 |
[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 |
48 |
[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 |
49 |
[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 |
50 |
[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 |
51 |
[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 |
52 |
[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 |
53 |
[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 |
54 |
[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 |
55 |
[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 |
56 |
[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) Fernando L. A. Fonseca, Paula S. Haddad |
57 |
[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 |
58 |
[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 |
59 |
[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 |
60 |
[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) Nahla Bouqellah, Mohamed Hagar |
61 |
[GO] |
2021―Mar―01 |
COVID-19 into Chemical Science Perspective: Chemical Preventive Measures and Drug Development |
Bimalendu Adhikari, Nihar Sahu |
62 |
[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 |
63 |
[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 |
64 |
[GO] |
2020―Sep―16 |
A Concise Review of Baseline Facts of SARS-CoV-2 for Interdisciplinary Research |
Adish Tyagi, Sandeep Nigam, Rohit Singh Chauhan |
65 |
[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 |
66 |
[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 |
67 |
[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) Duong Tuan Quang, Nguyen Thanh Triet, Tran Thi Van Anh, Nguyen Thi Xuan Dieu, Nguyen Tien Trung, Nguyen Van Hue, Pham Van Tat, Vo Thanh Tung, Nguyen Thi Ai Nhung |
68 |
[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 |