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COVID answers in Scientific Journals all over the world


97 Results       Page 1

 [1] 
Elsevier: Journal of Molecular Structure
  original article Date Title Authors   All Authors
1 [GO] 2022―Aug―23 Synthesis, characterization, DFT, antioxidant, antibacterial, pharmacokinetics and inhibition of SARS-CoV-2 main protease of some heterocyclic hydrazones Lilia Adjissi, Nadjib Chafai, Khalissa Benbouguerra, Imene Kirouani, Abdelkader Hellal, Houdheifa Layaida, et al. (+3)
2 [GO] 2022―Jul―12 Discovery of TCMs and Derivatives Against the Main Protease of SARS-CoV-2 via High Throughput Screening, ADMET Analysis, and Inhibition Assay in Vitro Xinyu Qi, Binglin Li, Alejandra B. Omarini, Martin Gand, Xiaoli Zhang, Jiao Wang
3 [GO] 2022―Jul―11 New Phosphinic and Phosphonic acids: Synthesis, antidiabetic, anti-Alzheimer, antioxidant activity, DFT study and SARS-CoV-2 inhibition Mouna Elkolli, Nadjib Chafai, Salah Chafaa, Imededdine Kadi, Chawki Bensouici, Abdelkader Hellal
4 [GO] 2022―Jul―05 Towards Covid-19 TMPRSS2 Enzyme Inhibitors and Antimicrobial Agents: Synthesis, Antimicrobial potency, Molecular Docking, and Drug-Likeness Prediction of Thiadiazole-Triazole Hybrids H.R.M. Rashdan, A.H. Abdelmonsef
5 [GO] 2022―Jun―30 Experimental spectra, electronic properties (liquid and gaseous phases) and activity against SARS-CoV-2 main protease of Fluphenazine dihydrochloride: DFT and MD simulations Jamelah S. Al-Otaibi, Y. Sheena Mary, Y. Shyma Mary, R. Niranjana Devi, Sreejit Soman
6 [GO] 2022―Jun―25 Synthesis of new Spiropyrazole derivatives under microwaves irradiation and docking study for inhibition the microbes and COVID-19 Ghada S. Masaret
7 [GO] 2022―Jun―09 Metal complexes of thiosemicarbazones derived by 2-quinolones with Cu(I), Cu(II) and Ni(II); Identification by NMR, IR, ESI mass spectra and in silico approach as potential tools against SARS-CoV-2 Ashraf A Aly, Elham M. Abdallah, Salwa A. Ahmed, Mai M. Rabee, El-Shimaa M.N. Abdelhafez
8 [GO] 2022―May―31 Structural-property relationship in halogen-bonded Schiff base derivative: Crystal structure, computational and SARS-CoV-2 docking studies A.H. Udaya Kumar, K.J. Pampa, Karthik Kumara, M.K. Hema, Nanishankar V. Harohally, N.K. Lokanath
9 [GO] 2022―May―28 Synthesis, Crystal structure, and a molecular modeling approach to identify effective antiviral hydrazide derivative against the main protease of SARS-CoV-2 Shaaban K. Mohamed, Youness El Bakri, Dalia A. Abdul, Sajjad Ahmad, Mustafa R Albayati, Chin-Hung Lai, et al. (+2)
10 [GO] 2022―Apr―25 Novel indolo [3,2-c]isoquinoline-5-one-6-yl [1,2,4]triazolo [3,4-b] [1,3,4]thiadiazole analogues: Design, synthesis, anticancer activity, docking with SARS-CoV-2 Omicron protease and MESP/TD-DFT approaches. Vaijinath A. Verma, Anand R. Saundane, Raju Shamrao, Rajkumar S. Meti, Venkat M. Shinde
11 [GO] 2022―Apr―19 Design, synthesis and characterization of novel Ni(II) and Cu(II) complexes as antivirus drug candidates against SARS-CoV-2 and HIV virus Mukesh Choudhary
12 [GO] 2022―Apr―12 African derived phytocompounds may interfere with SARS-CoV-2 RNA capping machinery via inhibition of 2’-O-ribose methyltransferase: an in silico perspective Gideon A. Gyebi, Oludare M. Ogunyemi, Adedotun A. Adefolalu, Alejandro Rodríguez-Martínez, Juan F. López-Pastor, Antonio J. Banegas-Luna, et al. (+4)
13 [GO] 2022―Apr―09 Exploring the inhibitory potential of Saussurea costus and Saussurea involucrata phytoconstituents against the Spike glycoprotein receptor binding domain of SARS-CoV-2 Delta (B.1.617.2) variant and the main protease (Mpro) as therapeutic candidates, using Molecular docking, DFT, and ADME/Tox studies Selma Houchi, Zakia Messasma
14 [GO] 2022―Mar―28 Virtual screening of molecular databases for potential inhibitors of the NSP16/NSP10 methyltransferase from SARS-CoV-2 João Pedro Agra Gomes, Larissa de Oliveira Rocha, Cíntia Emi Yanaguibashi Leal, Edilson Beserra de Alencar Filho
15 [GO] 2022―Mar―23 Synthesis, spectroscopic characterization of novel phthalimides derivatives bearing a 1,2,3-triazole unit and examination as potential SARS-CoV-2 inhibitors via in silico studies Ayse TAN
16 [GO] 2022―Mar―20 New Bis Hydrazone: Synthesis, X-ray Crystal Structure, DFT Computations, Conformational Study and in silico Study of the Inhibition Activity of SARS-CoV-2 Abdelkader Tabbiche, Abdelaziz Bouchama, Nadjib Chafai, Farouk Zaidi, Chaabane Chiter, Messaoud Yahiaoui, Abdellah Abiza
17 [GO] 2022―Mar―02 Synthesis, crystal structure, DFT and molecular docking studies of N-acetyl-2,4-[diaryl-3-azabicyclo[3.3.1]nonan-9-yl]-9-spiro-4′-acetyl-2′-(acetylamino)-4′,9-dihydro-[1′,3′,4′]-thiadiazoles: A potential SARS-nCoV-2 Mpro (COVID-19) inhibitor Ramachandran Rajamanickam, Rani Mannangatty, Jayanthi Sampathkumar, Kabilan Senthamaraikannan, Barathi Diravidamani
18 [GO] 2022―Feb―18 In silico detection of potential inhibitors from vitamins and their derivatives compounds against SARS-CoV-2 main protease by using Molecular Docking, Molecular Dynamic simulation and ADMET profiling Assia Belhassan, Samir Chtita, Hanane Zaki, Marwa Alaqarbeh, Nada Alsakhen, Firas Almohtaseb, et al. (+2)
19 [GO] 2022―Feb―15 Inhibitory effect of compounds extracted from Monochoria hastata (L.) Solms on SARS-CoV-2 main protease: An insight from molecular docking and MD-simulation studies Nabajyoti Baildya, Narendra Nath Ghosh, Asoke P. Chattopadhyay, Vivekananda Mandal, Sourav Majumdar, Delwar Ansary, Md Muttakin Sarkar
20 [GO] 2022―Feb―08 Protein-protein interaction of RdRp with its co-factor NSP8 and NSP7 to decipher the interface hotspot residues for drug targeting: A comparison between SARS-CoV-2 and SARS-CoV Himakshi Sarma, Esther Jamir, G. Narahari Sastry
21 [GO] 2022―Feb―05 Synthesis, In silico study (DFT, ADMET) and crystal structures of novel sulfamoyloxy-oxazolidinones: Interaction with SARS-CoV-2 Abdeslem Bouzina, Malika Berredjem, Sofiane Bouacida, Khaldoun Bachari, Christelle Marminon, Marc Le Borgne, et al. (+2)
22 [GO] 2022―Jan―28 Identification of the SARS-CoV-2 surface therapeutic targets and drugs using molecular modeling methods for inhibition the virus entry Sadegh Farhadian, Ehsan Heidari-Soureshjani, Fatemeh Hashemi-Shahraki, Ali Hasanpour-Dehkordi, Vladimir N. Uversky, Majid Shirani, et al. (+4)
23 [GO] 2022―Jan―08 Synthesis, kinetics, structure-activity relationship and in silico ADME studies of new diazenyl azo-phenol derivatives against urease, SARS-CoV-2 main protease (Mpro) and ribosomal protein S1 (RpsA) of Mycobacterium tuberculosis Tehreem Tahir, Rukhsana Tabassum, Qamer Javed, Anser Ali, Muhammad Ashfaq, Mirza Imran Shahzad
24 [GO] 2022―Jan―08 Potential of phytocompounds from Brassica oleracea targeting S2-domain of SARS-CoV-2 spike glycoproteins: Structure and molecular insights Sandra Jose, Megha Gupta, Urvashi Sharma, Jorge Quintero-Saumeth, Manish Dwivedi
25 [GO] 2021―Dec―31 Investigation of Cu metal nanoparticles with different morphologies to inhibit SARS-CoV-2 main protease and spike glycoprotein using Molecular Docking and Dynamics Simulation Mohammadreza Aallaei, Elaheh Molaakbari, Paridokht Mostafavi, Navvabeh Salarizadeh, Rahime Eshaghi Maleksah, Dariush Afzali
26 [GO] 2021―Dec―30 Synthesis, Characterization, Antioxidant, Antileishmanial, Anticancer, DNA and Theoretical SARS-CoV-2 Interaction Studies of Copper(II) Carboxylate Complexes Niaz Muhammad, Ishaq N. Khan, Zafar Ali, Mohammad Ibrahim, Shaukat Shujah, Saqib Ali, et al. (+6)
27 [GO] 2021―Dec―23 Synthesis of novel 2,5-bis(substituted thio)-1,3,4-thiadiazoles by acid catalyzed intermolecular cyclization reactions of substituted dithiocarbazates as a possible 2019-nCoV main protease inhibitor Muzzaffar A. Bhat, Misbah Jan, Unjum Manzoor, Aabid H. Shalla, Ray J Butcher, Jerry P. Jasinski
28 [GO] 2021―Dec―01 Synthesis & characterization of heterocyclic disazo - azomethine dyes and investigating their molecular docking & dynamics properties on acetylcholine esterase (AChE), heat shock protein (HSP90α), nicotinamide N-methyl transferase (NNMT) and SARS-CoV-2 (2019-nCoV, COVID-19) main protease (Mpro) Hakki Yasin Odabasoglu, Taner Erdogan, Fikret Karci
29 [GO] 2021―Nov―29 Ligand-based quantitative structural assessments of SARS-CoV-2 3CLpro inhibitors: An analysis in light of structure-based multi-molecular modeling evidences Nilanjan Adhikari, Suvankar Banerjee, Sandip Kumar Baidya, Balaram Ghosh, Tarun Jha
30 [GO] 2021―Nov―28 Synthesis, spectroscopic, and computational studies on molecular charge-transfer complex of 2-((2-hydroxybenzylidene) amino)-2-(hydroxymethyl) propane-1, 3-diol with chloranilic acid: Potential antiviral activity simulation of CT-complex against SARS-CoV-2 Tarek E. Khalil, Hemmat A. Elbadawy, Asmaa A. Attia, Doaa S. El-Sayed
31 [GO] 2021―Nov―20 Interactions between main protease of SARS-CoV-2 and testosterone or progesterone using computational approach Vijay Kumar Vishvakarma, Shweta Pal, Prashant Singh, Indra Bahadur
32 [GO] 2021―Nov―19 Re-Purposing of Hepatitis C Virus FDA Approved Direct Acting Antivirals as Potential SARS-CoV-2 Protease Inhibitors Reaz Uddin, Khurshid Jalal, Kanwal Khan, Zaheer ul-Haq
33 [GO] 2021―Nov―15 Crystal structure, DFT studies, Hirshfeld surface and Energy Framework analysis of 4-(5-nitro-thiophen-2-yl)-pyrrolo [1, 2-a] quinoxaline: a potential SARS-CoV-2 main protease inhibitor K.M. Divya, D.P. Savitha, G. Anjali Krishna, T.M. Dhanya, P.V. Mohanan
34 [GO] 2021―Nov―14 L-amino-acids as immunity booster against COVID-19: DFT, molecular docking and MD Simulations Prashant Singh, Durgesh Kumar, Shweta Pal, Kamlesh Kumari, Indra Bahadur
35 [GO] 2021―Nov―11 Dietary polyphenols mitigate SARS-CoV-2 main protease (Mpro) - Molecular Dynamics, Molecular Mechanics, and Density Functional Theory Investigations. Temitope Isaac Adelusi, Abdul-Quddus Kehinde Oyedele, Ojo Emmanuel Monday, Ibrahim Damilare Boyenle, Mukhtar Oluwaseun Idris, Abdeen Tunde Ogunlana, et al. (+5)
36 [GO] 2021―Nov―09 One-pot synthesis, Spectral, X-ray crystal structure, Hirshfeld surface and computational study on potential inhibitory action of novel 1-benzyl-2-(4-methoxynaphthalen-1-yl)-4,5-diphenyl-1H-imidazole derivatives against COVID-19 main protease (Mpro: 6WCF/6Y84) L. Athishu Anthony, P. Nethaji, G. Sundararajan, D. Rajaraman
37 [GO] 2021―Nov―03 Design of New Bis-triazolyl Structure for Identification of Inhibitory Activity on COVID-19 Main Protease by Molecular Docking Approach Gurjaspreet Singh, Anamika Saini, Amarjit Kaur
38 [GO] 2021―Nov―03 New Thiophene-Derived α-aminophosphonic acids: Synthesis under microwave irradiations, antioxidant and antifungal activities, DFT investigations and SARS-CoV-2 main protease inhibition Hamida Tlidjane, Nadjib Chafai, Salah Chafaa, Chawki Bensouici, Khalissa Benbouguerra
39 [GO] 2021―Oct―30 Synthesis, Crystal structure, Potential Drug Properties for Coronavirus of Co(II) and Zn(II) 2-Chlorobenzoate with 3-Cyanopyridine Complexes Füreya Elif Öztürkkan, Mücahit Özdemir, Giray Buğra Akbaba, Mustafa Sertçelik, Bahattin Yalçın, Hacali Necefoğlu, Tuncer Hökelek
40 [GO] 2021―Oct―21 Design and synthesis of heterocyclic azole based bioactive compounds: Molecular structures, quantum simulation, and mechanistic studies through docking as multi-target inhibitors of SARS-CoV-2 and cytotoxicity Jebiti Haribabu, Vasavi Garisetti, Rahime Eshaghi Malekshah, Swaminathan Srividya, Dasararaju Gayathri, Nattamai Bhuvanesh, et al. (+3)
41 [GO] 2021―Oct―18 Structure-Property Relationship in Thioxotriaza-spiro Derivative: Crystal structure and Molecular Docking Analysis against SARS-CoV-2 Main Protease A. H. Udaya kumar, K.G. Vindya, K.J. Pampa, K.S. Rangappa, N.K. Lokanath
42 [GO] 2021―Aug―30 Molecular docking and dynamics studies of Nicotinamide Riboside as a potential multi-target nutraceutical against SARS-CoV-2 entry, replication, and transcription: A new insight Zohreh Esam, Malihe Akhavan, Maryam lotfi, Ahmadreza Bekhradnia
43 [GO] 2021―Aug―28 Computational strategies towards developing novel SARS-CoV-2 Mpro inhibitors against COVID-19 Ding Luo, Jian-Bo Tong, Xing Zhang, Xue-Chun Xiao, Shuai Bian
44 [GO] 2021―Aug―26 Encapsulated hydroxychloroquine and chloroquine into cyclic oligosaccharides are the potential therapeutics for COVID-19: insights from first-principles calculations Aditi Roy, Ranjoy Das, Debadrita Roy, Subhadeep Saha, Narendra Nath Ghosh, Subires Bhattacharyya, Mahendra Nath Roy
45 [GO] 2021―Aug―13 Molecular docking and dynamic simulations of Cefixime, Etoposide and Nebrodenside A against the pathogenic proteins of SARS-CoV-2 Haroon Rashid, Nasir Ahmad, Mohnad Abdalla, Khalid Khan, Marco Antonio Utrera Martines, Samah Shabana
46 [GO] 2021―Aug―07 Synthesis under microwaves irradiation, structure elucidation, docking study for inhibiting COVID-19 and DFT calculations of novel azoles incorporated indole moiety Thoraya A. Farghaly, Ismail Althagafi, Mona H. Ibrahim, Nadia T. Al-Qurashi, Umar Farooq
47 [GO] 2021―Aug―06 DFT and MD Simulation Investigation of Favipiravir as an Emerging Antiviral Option against Viral Protease (3CLpro) of SARS-CoV-2 Pooja Yadav, Meenakshi Rana, Papia Chowdhury
48 [GO] 2021―Jul―23 A novel manganese(II) bisthiocarbohydrazone complex: Crystal structures, Hirshfeld surface analysis, DFT and molecular docking study with SARS-CoV-2 K.K. Mohammed Hashim, E. Manoj, M.R. Prathapachandra Kurup
49 [GO] 2021―Jul―22 Synthesis and DFT Computations on Structural, Electronic and Vibrational Spectra, RDG Analysis and Molecular Docking of novel Anti COVID-19 molecule 3, 5 Dimethyl Pyrazolium 3, 5 Dichloro Salicylate X.D. Divya Dexlin, J.D. Deephlin Tarika, S. Madhan Kumar, A. Mariappan, T. Joselin Beaula
50 [GO] 2021―Jul―22 The iron(III) and nickel(II) complexes with tetradentate thiosemicarbazones. Synthesis, experimental, theoretical characterization, and antiviral effect against SARS-Cov2 Belkis Atasever Arslan, Büşra Kaya, Onur Şahin, Sefer Baday, Cemil Can Saylan, Bahri Ülküseven
51 [GO] 2021―Jul―18 Targeting SARS-CoV-2 main protease by teicoplanin: a mechanistic insight by docking, MM/GBSA and molecular dynamics simulation Faizul Azam, Eltayeb E M Eid, Abdulkarim Almutairi
52 [GO] 2021―Jul―16 Seq12, Seq12m, and Seq13m, peptide analogues of the spike glycoprotein shows antiviral properties against SARS-CoV-2: An in silico study through molecular docking, molecular dynamics simulation, and MM-PB/GBSA calculations Kunal Dutta, Ammar D. Elmezayen, Anas Al-Obaidi, Wei Zhu, Olga V. Morozova, Sergey Shityakov, Ibrahim Khalifa
53 [GO] 2021―Jul―16 Discovery of Taroxaz-104: The First Potent Antidote of SARS-CoV-2 VOC-202012/01 Strain Amgad M. Rabie
54 [GO] 2021―Jul―04 Novel Piperazine Based Compounds as Potential Inhibitors for SARS-CoV-2 Protease Enzyme: Synthesis and Molecular Docking Study Alaa Z. Omar, Tawfik M. Mosa, Samer K. Elsadany, Ezzat A. Hamed, Mohamed Elatawy
55 [GO] 2021―Jun―24 Synthesis and characterization of new thiazole-based Co(II) and Cu(II) complexes; therapeutic function of thiazole towards COVID-19 in comparing to current antivirals in treatment protocol Samira A. Almalki, Tahani M. Bawazeer, Basim Asghar, Arwa Alharbi, Meshari M. Aljohani, Mohamed E. Khalifa, Nashwa El-Metwaly
56 [GO] 2021―Jun―24 (2E)-2-(4-ethoxybenzylidene)-3,4-dihydro-2H-naphthalen-1-one single crystal: Synthesis, growth, crystal structure, spectral characterization, biological evaluation and binding interactions with SARS-CoV-2 main protease N. Afsar, D. Reuben Jonathan, B.K. Revathi, Dhurairaj Satheesh, S. Manivannan
57 [GO] 2021―Jun―16 COVID-19: In silico identification of potent α-ketoamide inhibitors targeting the main protease of the SARS-CoV-2 Mehdi Oubahmane, Ismail Hdoufane, Imane Bjij, Carola Jerves, Didier Villemin, Driss Cherqaoui
58 [GO] 2021―Jun―12 COVID-19 and Ivermectin: Potential threats associated with human use Tean Zaheer, Kaushik Pal, Rao Zahid Abbas, María del Pilar Rodríguez Torres
59 [GO] 2021―Jun―12 Divulging the Regioselectivity of Epoxides in the Ring-Opening Reaction, and Potential Himachalene Derivatives Predicted to Target the Antibacterial Activities and SARS-CoV-2 Spike Protein with Docking Study Abdelhak Ouled Aitouna, M.E. Belghiti, A. Eşme, Anas Ouled Aitouna, M. Salah, A. Chekroun, et al. (+5)
60 [GO] 2021―Jun―09 Comparative analysis of non structural protein 1 of SARS-CoV2 with SARS-CoV1 and MERS-CoV: An in silico study Ankur Chaudhuri
61 [GO] 2021―May―22 DFT, Molecular Docking and Molecular Dynamics Simulation Studies on Some Newly Introduced Natural Products for Their Potential Use Against SARS-CoV-2 Taner Erdogan
62 [GO] 2021―May―19 Chemical Reactivities and Molecular Docking Studies of Parthenolide with the main protease of HEP-G2 and SARS-CoV-2 A. Ouled Aitouna, ME. Belghiti, Aslı Eşme, El Hassane Anouar, A. Ouled Aitouna, A Zeroual, et al. (+5)
63 [GO] 2021―May―13 Design and Synthesis of Pyrazolone-based Compounds as Potent Blockers of SARS-CoV-2 Viral Entry into the Host Cells Vincent A. Obakachi, Narva Deshwar Kushwaha, Babita Kushwaha, Mavela Cleopus Mahlalela, Suraj Raosaheb Shinde, Idowu Kehinde, Rajshekhar Karpoormath
64 [GO] 2021―May―04 In silico detection of inhibitor potential of Passiflora compounds against SARS-Cov-2(Covid-19) main protease by using Molecular Docking and Dynamic analyses Serap Yalçın, Seda Yalçınkaya, Fahriye Ercan
65 [GO] 2021―Apr―30 In silico identification of RBD subdomain of spike protein from Pro322-Thr581 for applications in vaccine development against SARS-CoV2 Nataraj Sekhar Pagadala, Abdolamir Landi, Paramahamsa Maturu, Jack Tuszynski
66 [GO] 2021―Apr―29 Screening of Cryptogamic Secondary Metabolites as Putative Inhibitors of SARS-CoV-2 Main Protease and Ribosomal Binding Domain of Spike Glycoprotein by Molecular Docking and Molecular Dynamics Approaches G. Prateeksha, Tikam S Rana, Ashish K Ashthana, Saroj K Barik, Brahma N Singh
67 [GO] 2021―Apr―21 Synthesis, X-ray crystal structure, IR and Raman spectroscopic analysis, quantum chemical computational and molecular docking studies on hydrazone-pyridine compound: As an insight into the inhibitor capacity of main protease of SARS-CoV2 Tufan Topal, Yunus Zorlu, Nazan Karapınar
68 [GO] 2021―Apr―13 Molecular Insights of Hyaluronic Acid-Hydroxychloroquine Conjugate as a Promising Drug in Targeting SARS-CoV-2 Viral Proteins R. Thirumalaisamy, V. Aroulmoji, Muhammad Nasir Iqbal, M. Deepa, C. Sivasankar, Riaz Khan, T. Selvankumar
69 [GO] 2021―Apr―08 Synthesis, antimicrobial activity, density functional modelling and molecular docking with COVID-19 main protease studies of benzoxazole derivative: 2-(p-chloro-benzyl)-5-[3-(4-ethly-1-piperazynl) propionamido]-benzoxazole Celal Tuğrul Zeyrek, Özlem Temiz Arpacı, Mustafa Arısoy, Fatma Kaynak Onurdağ
70 [GO] 2021―Apr―07 Rational Design of Flavonoid based Potential inhibitors targeting SARS-CoV 3CL protease for the Treatment of COVID-19 Shipra Bhati, Vikas Kaushik, Joginder Singh
71 [GO] 2021―Apr―06 The Identification of Novel Inhibitors of Human Angiotensin-converting Enzyme 2 and Main Protease of Sars-Cov-2: A Combination of in silico Methods for Treatment of COVID-19 Vahid Zarezade, Hamzeh Rezaei, Ghodratollah Shakerinezhad, Arman Safavi, Zahra Nazeri, Ali Veisi, et al. (+4)
72 [GO] 2021―Mar―26 Unmasking of crucial structural fragments for coronavirus protease inhibitors and its implications in COVID-19 drug discovery Kalyan Ghosh, Sk. Abdul Amin, Shovanlal Gayen, Tarun Jha
73 [GO] 2021―Feb―26 Syntheses, crystal structures, antioxidant, in silico DNA and SARS-CoV-2 interaction studies of triorganotin(IV) carboxylates Tariq Ali, Niaz Muhammad, Zafar Ali, Abdus Samad, Mohammad Ibrahim, Muhammad Ikram, et al. (+6)
74 [GO] 2021―Feb―26 Inhibitory efficacy of RNA virus drugs against SARS-CoV-2 proteins: An extensive study Manab Mandal, Swapan Kumar Chowdhury, Abdul Ashik Khan, Nabajyoti Baildya, Tanmoy Dutta, Debabrata Misra, Narendra Nath Ghosh
75 [GO] 2021―Feb―16 “Identification of Nafamostat and VR23 as COVID-19 drug candidates by targeting 3CLpro and PLpro." Deep Bhowmik, Ravi Datta Sharma, Amresh Prakash, Diwakar Kumar
76 [GO] 2021―Feb―09 Computational search for drug repurposing to identify potential inhibitors against SARS-COV-2 using Molecular Docking, QTAIM and IQA methods in viral Spike protein - Human ACE2 interface Sergio H.D.M. Faria, João G. Teleschi
77 [GO] 2021―Jan―27 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol as potential antiviral SARS-CoV-2 candidate: Synthesis, crystal structure, Hirshfeld surface analysis, DFT and molecular docking studies Dhaybia Douche, Yusuf Sert, Silvia A. Brandán, Ameed Ahmed Kawther, Bayram Bilmez, Necmi Dege, et al. (+4)
78 [GO] 2021―Jan―25 Molecular Docking Identification for the efficacy of Some Zinc Complexes with Chloroquine and Hydroxychloroquine against Main Protease of COVID-19 R.K. Hussein, H.M. Elkhair
79 [GO] 2021―Jan―25 In silico assessment and sonochemical synthesis of 2-alkynyl 3-chloropyrazines as prospective ligands for SARS-CoV-2 M.V. Satyanarayana, Alugubelli Gopi Reddy, M. Yedukondalu, Mandava Bhuvan Tej, Kazi Amirul Hossain, Mandava Venkata Basaveswara Rao, Manojit Pal
80 [GO] 2021―Jan―19 Probing CAS database As Prospective Antiviral Agents Against SARS-CoV-2 Main Protease Komal Zia, Salman Ali Khan, Sajda Ashraf, Mohammad Nur-e-Alam, Sarfaraz Ahmed, Zaheer Ul-Haq
81 [GO] 2021―Jan―08 Inhibitory capacity of Chloroquine against SARS-COV-2 by effective binding with Angiotensin converting enzyme-2 receptor: An insight from molecular docking and MD-simulation studies Nabajyoti Baildya, Narendra Nath Ghosh, Asoke P. Chattopadhyay
82 [GO] 2021―Jan―03 Pyrrolo[2,3-b]quinoxalines in attenuating cytokine storm in COVID-19: their sonochemical synthesis and in silico / in vitro assessment Raviteja Chemboli, Ravikumar Kapavarapu, K. Deepti, K.R.S. Prasad, Alugubelli Gopi Reddy, A. V. D. Nagendra Kumar, et al. (+2)
83 [GO] 2020―Dec―27 Synthesis of novel indolo[3,2-c]isoquinoline derivatives bearing pyrimidine, piperazine rings and their biological evaluation and docking studies against COVID-19 virus main protease Vaijinath A. Verma, Anand R. Saundane, Rajkumar S. Meti, Dushyanth R. Vennapu
84 [GO] 2020―Oct―17 DFT Investigation of Atazanavir as Potential Inhibitor for 2019-nCoV Coronavirus M protease Siyamak Shahab, Masoome Sheikhi, Radwan Alnajjar, Sultan Al Saud, Maksim Khancheuski, Aleksandra Strogova
85 [GO] 2020―Oct―17 Synthesis, anti-bacterial evaluation, DFT study and molecular docking as a potential 3-chymotrypsin-like protease (3CLpro) of SARS-CoV-2 inhibitors of a novel Schiff bases Ahmed S.M. Al-Janabi, Amin O. Elzupir, Tarek A. Yousef
86 [GO] 2020―Oct―15 Chloroquine and Hydroxychloroquine Inhibitors for COVID-19 Sialic Acid Cellular Receptor: Structure, Hirshfeld Atomic Charge Analysis and Solvent Effect Tariq A. Altalhi, Khaled Alswat, Walaa F. Alsanie, Mohamed M. Ibrahim, Ali Aldalbahi, Hamdy S. El-Sheshtawy
87 [GO] 2020―Oct―13 Fenoterol and dobutamine as COVID-19 main protease inhibitors: A virtual screening study Kayhan Bolelli, Tugba Ertan-Bolelli, Ozan Unsalan, Cisem Altunayar-Unsalan
88 [GO] 2020―Oct―03 Screening of potential drug from Azadiractha Indica (Neem) extracts for SARS-CoV-2: An insight from molecular docking and MD-simulation studies Nabajyoti Baildya, Abdul Ashik Khan, Narendra Nath Ghosh, Tanmoy Dutta, Asoke P. Chattopadhyay
89 [GO] 2020―Sep―18 Synthesis, characterization and computational study on potential inhibitory action of novel azo imidazole derivatives against COVID-19 main protease (Mpro: 6LU7) Abhijit Chhetri, Sailesh Chettri, Pranesh Rai, Dipu Kumar Mishra, Biswajit Sinha, Dhiraj Brahman
90 [GO] 2020―Sep―09 Structural dynamics of COVID-19 main protease Ashkan Shekaari, Mahmoud Jafari
91 [GO] 2020―Aug―31 Exploration of Inhibitory Action of Azo imidazole Derivatives against COVID-19 Main Protease (Mpro): A Computational Study Abhijit Chhetri, Sailesh Chettri, Pranesh Rai, Biswajit Sinha, Dhiraj Brahman
92 [GO] 2020―Aug―23 Molecular dynamics simulation of docking structures of SARS-CoV-2 main protease and HIV protease inhibitors Wesley B. Cardoso, Sebastião A. Mendanha
93 [GO] 2020―Aug―05 Chemical-informatics approach to COVID-19 drug discovery: Exploration of important fragments and data mining based prediction of some hits from natural origins as main protease (Mpro) inhibitors Kalyan Ghosh, Sk.Abdul Amin, Shovanlal Gayen, Tarun Jha
94 [GO] 2020―Jul―16 Crystal structure, chemical reactivity, kinetic and thermodynamic of new ligand derived from 4-hydroxycoumarin: Interaction with SARS-CoV-2 Chafia AIT-RAMDANE-TERBOUCHE, Hasnia ABDELDJEBAR, Achour TERBOUCHE, Houria LAKHDARI, Khaldoun BACHARI, Thierry ROISNEL, Didier HAUCHARD
95 [GO] 2020―Jul―10 Inhibition of SARS-CoV-2 main protease 3CLpro by means of α-ketoamide and pyridone-containing pharmaceuticals using in silico molecular docking Amin O. Elzupir
96 [GO] 2020―Jul―04 Computational evaluation of major components from plant essential oils as potent inhibitors of SARS-CoV-2 spike protein Seema A. Kulkarni, Santhosh Kumar Nagarajan, Veena Ramesh, Velusamy Palaniyandi, S. Periyar Selvam, Thirumurthy Madhavan
97 [GO] 2020―Jun―02 Inhibitory activity of hydroxychloroquine on COVID-19 main protease: An insight from MD-simulation studies Nabajyoti Baildya, Narendra Nath Ghosh, Asoke P. Chattopadhyay
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97 Results       Page 1



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