OOIR: Observatory of International Research

Papers

(The H4-Index of Journal of Biomolecular Structure & Dynamics is 60. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2020-03-01 to 2024-03-01.)

Article	Citations
Classification of the COVID-19 infected patients using DenseNet201 based deep transfer learning	320
Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment	297
Computational studies of drug repurposing and synergism of lopinavir, oseltamivir and ritonavir binding with SARS-CoV-2 protease against COVID-19	264
An investigation into the identification of potential inhibitors of SARS-CoV-2 main protease using molecular docking study	226
Andrographolide as a potential inhibitor of SARS-CoV-2 main protease: an in silico approach	217
Peptide-like and small-molecule inhibitors against Covid-19	209
Discovery of potential multi-target-directed ligands by targeting host-specific SARS-CoV-2 structurally conserved main protease	206
Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations	206
A review on the cleavage priming of the spike protein on coronavirus by angiotensin-converting enzyme-2 and furin	195
A molecular modeling approach to identify effective antiviral phytochemicals against the main protease of SARS-CoV-2	181
Using X-ray images and deep learning for automated detection of coronavirus disease	179
Drug repurposing for coronavirus (COVID-19): in silico screening of known drugs against coronavirus 3CL hydrolase and protease enzymes	177
Identification of bioactive molecules from tea plant as SARS-CoV-2 main protease inhibitors	171
Evaluation of green tea polyphenols as novel corona virus (SARS CoV-2) main protease (Mpro) inhibitors – an in silico docking and molecular dynamics simulation study	161
Targeting COVID-19 (SARS-CoV-2) main protease through active phytochemicals of ayurvedic medicinal plants – Withania somnifera (Ashwagandha), Tinospora cordifolia (Giloy) and Ocimum s	159
Identification of chymotrypsin-like protease inhibitors of SARS-CoV-2 via integrated computational approach	151
Stilbene-based natural compounds as promising drug candidates against COVID-19	151
Targeting SARS-CoV-2: a systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2′-O-ribose methyltransferase	141
In-silico approaches to detect inhibitors of the human severe acute respiratory syndrome coronavirus envelope protein ion channel	137
In-silico homology assisted identification of inhibitor of RNA binding against 2019-nCoV N-protein (N terminal domain)	132
Reverse vaccinology approach to design a novel multi-epitope vaccine candidate against COVID-19: an in silico study	131
An in-silico evaluation of different Saikosaponins for their potency against SARS-CoV-2 using NSP15 and fusion spike glycoprotein as targets	131
SARS-CoV-2 RNA dependent RNA polymerase (RdRp) targeting: an in silico perspective	127
Potential inhibitors of coronavirus 3-chymotrypsin-like protease (3CL^pro): an in silico screening of alkaloids and terpenoids from African medicinal plants	124
Targeting SARS-CoV-2 spike protein of COVID-19 with naturally occurring phytochemicals: an in silico study for drug development	112

Identification of phytochemical inhibitors against main protease of COVID-19 using molecular modeling approaches	108
Identification of new anti-nCoV drug chemical compounds from Indian spices exploiting SARS-CoV-2 main protease as target	107
Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach	106
In silico study the inhibition of angiotensin converting enzyme 2 receptor of COVID-19 by Ammoides verticillata components harvested from Western Algeria	99
In silicoidentification of potential inhibitors fromCinnamonagainst main protease and spike glycoprotein of SARS CoV-2	95
Withanone and Withaferin-A are predicted to interact with transmembrane protease serine 2 (TMPRSS2) and block entry of SARS-CoV-2 into cells	95
Designing a multi-epitope vaccine against SARS-CoV-2: an immunoinformatics approach	94
Identification of potential natural inhibitors of SARS-CoV2 main protease by molecular docking and simulation studies	93
In silico investigation of phytoconstituents from Indian medicinal herb ‘Tinospora cordifolia (giloy)’ against SARS-CoV-2 (COVID-19) by molecular dynamics approach	91
Using integrated computational approaches to identify safe and rapid treatment for SARS-CoV-2	88
Natural products may interfere with SARS-CoV-2 attachment to the host cell	85
Molecular docking, validation, dynamics simulations, and pharmacokinetic prediction of natural compounds against the SARS-CoV-2 main-protease	84
Pharmacoinformatics and molecular dynamics simulation studies reveal potential covalent and FDA-approved inhibitors of SARS-CoV-2 main protease 3CL^pro	82
Virtual screening-driven drug discovery of SARS-CoV2 enzyme inhibitors targeting viral attachment, replication, post-translational modification and host immunity evasion infection mechanisms	82
Withanone and caffeic acid phenethyl ester are predicted to interact with main protease (M^pro) of SARS-CoV-2 and inhibit its activity	79
Plant-derived natural polyphenols as potential antiviral drugs against SARS-CoV-2 via RNA‐dependent RNA polymerase (RdRp) inhibition: an in-silico analysis	77
Repurposing approved drugs as inhibitors of SARS-CoV-2 S-protein from molecular modeling and virtual screening	77
Identification of bioactive molecule from Withania somnifera (Ashwagandha) as SARS-CoV-2 main protease inhibitor	76
Antiviral effects of probiotic metabolites on COVID-19	75
A computational prediction of SARS-CoV-2 structural protein inhibitors from Azadirachta indica (Neem)	75
Targeting the protein-protein interface pocket of Aurora-A-TPX2 complex: rational drug design and validation	75
Molecular docking and simulation studies on SARS-CoV-2 M^pro reveals Mitoxantrone, Leucovorin, Birinapant, and Dynasore as potent drugs against COVID-19	74
Molecular docking, simulation and MM-PBSA studies of nigella sativa compounds: a computational quest to identify potential natural antiviral for COVID-19 treatment	73
Design of multi-epitope vaccine candidate against SARS-CoV-2: ain-silicostudy	73
Marine natural compounds as potents inhibitors against the main protease of SARS-CoV-2—a molecular dynamic study	71
Identification of bioactive compounds fromGlycyrrhiza glabraas possible inhibitor of SARS-CoV-2 spike glycoprotein and non-structural protein-15: a pharmacoinformatics study	69
Homology modeling and in silico design of novel and potential dual-acting inhibitors of human histone deacetylases HDAC5 and HDAC9 isozymes	69
Sars-cov-2 host entry and replication inhibitors from Indian ginseng: an in-silico approach	66
Chemical-informatics approach to COVID-19 drug discovery: Monte Carlo based QSAR, virtual screening and molecular docking study of some in-house molecules as papain-like protease (PLpro) inhibi	66
Calcium channel blockers: molecular docking and inhibition studies on carbonic anhydrase I and II isoenzymes	64
First comprehensive computational analysis of functional consequences of TMPRSS2 SNPs in susceptibility to SARS-CoV-2 among different populations	63
Computational investigation on Andrographis paniculata phytochemicals to evaluate their potency against SARS-CoV-2 in comparison to known antiviral compounds in drug tri	63
Benzenesulfonamide derivatives as potent acetylcholinesterase, α-glycosidase, and glutathione S-transferase inhibitors: biological evaluation and molecular docking studies	62
Structure-based virtual screening and molecular dynamics simulation of SARS-CoV-2 Guanine-N7 methyltransferase (nsp14) for identifying antiviral inhibitors against COVID-19	61
Combined drug repurposing and virtual screening strategies with molecular dynamics simulation identified potent inhibitors for SARS-CoV-2 main protease (3CLpro)	61
Analysis of the interaction behavior between Nano-Curcumin and two human serum proteins: combining spectroscopy and molecular stimulation to understand protein-protein interaction	60
FDA-approved thiol-reacting drugs that potentially bind into the SARS-CoV-2 main protease, essential for viral replication	60