On the public citation graph
The natural way forward: Molecular dynamics simulation analysis of phytochemicals from Indian medicinal plants as potential inhibitors of SARS‐CoV ‐2 targets
0 signed · 159 inferred · view as graph
Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.
Is this your work? Sign in with ORCID and put your name on the
claims that are yours.
Reference health. See whether every reference in this work resolves to a
known work and none has been retracted — and get a dated CiteStamped
badge you can embed.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/jmv.25761openalex-snapshot
The potential chemical structure of anti‐SARS‐CoV‐2 RNA‐dependent RNA polymerase
inferredcites →https://doi.org/10.1002/prot.340170408openalex-snapshot
Essential dynamics of proteins
inferredcites →https://doi.org/10.1002/ptr.6868openalex-snapshot
The natural way forward: Molecular dynamics simulation analysis of phytochemicals from Indian medicinal plants as potential inhibitors of SARS‐CoV ‐2 targets
inferredcites →https://doi.org/10.1006/jmbi.1995.0514openalex-snapshot
Fluctuation and Cross-correlation Analysis of Protein Motions Observed in Nanosecond Molecular Dynamics Simulations
inferredcites →https://doi.org/10.1007/s11427-020-1637-5openalex-snapshot
Evolution of the novel coronavirus from the ongoing Wuhan outbreak and modeling of its spike protein for risk of human transmission
inferredcites →https://doi.org/10.1016/j.annonc.2020.04.479openalex-snapshot
Androgen-deprivation therapies for prostate cancer and risk of infection by SARS-CoV-2: a population-based study (N = 4532)
inferredcites →https://doi.org/10.1016/j.antiviral.2007.10.011openalex-snapshot
Inhibition of human coronavirus 229E infection in human epithelial lung cells (L132) by chloroquine: Involvement of p38 MAPK and ERK
inferredcites →https://doi.org/10.1016/j.bbrc.2020.02.071openalex-snapshot
Structure analysis of the receptor binding of 2019-nCoV
inferredcites →https://doi.org/10.1016/j.cell.2020.03.045openalex-snapshot
Structural and Functional Basis of SARS-CoV-2 Entry by Using Human ACE2
inferredcites →https://doi.org/10.1016/j.compbiomed.2021.104359openalex-snapshot
Identification of novel compounds against three targets of SARS CoV-2 coronavirus by combined virtual screening and supervised machine learning
inferredcites →https://doi.org/10.1016/j.compbiomed.2022.105452openalex-snapshot
Multidimensional in silico strategy for identification of natural polyphenols-based SARS-CoV-2 main protease (Mpro) inhibitors to unveil a hope against COVID-19
inferredcites →https://doi.org/10.1016/j.femsim.2004.11.004openalex-snapshot
Interaction of viral proteins with metal ions: role in maintaining the structure and functions of viruses
inferredcites →https://doi.org/10.1016/j.jpha.2020.03.009openalex-snapshot
Structural basis of SARS-CoV-2 3CLpro and anti-COVID-19 drug discovery from medicinal plants
inferredcites →https://doi.org/10.1016/j.phrs.2020.104859openalex-snapshot
Candidate drugs against SARS-CoV-2 and COVID-19
inferredcites →https://doi.org/10.1016/j.yjmcc.2020.05.007openalex-snapshot
p38 MAPK inhibition: A promising therapeutic approach for COVID-19
inferredcites →https://doi.org/10.1016/s0140-6736(20)30304-4openalex-snapshot
Baricitinib as potential treatment for 2019-nCoV acute respiratory disease
inferredcites →https://doi.org/10.1016/s0959-440x(99)80022-0openalex-snapshot
Protein dynamics simulations from nanoseconds to microseconds
inferredcites →https://doi.org/10.1021/acs.jpclett.0c00994openalex-snapshot
In Silico Exploration of the Molecular Mechanism of Clinically Oriented Drugs for Possibly Inhibiting SARS-CoV-2’s Main Protease
inferredcites →https://doi.org/10.1021/cen-v083n019.p031openalex-snapshot
JOURNAL OF CHEMICAL INFORMATION AND MODELING
inferredcites →https://doi.org/10.1021/ci500020mopenalex-snapshot
g_mmpbsa —A GROMACS Tool for High-Throughput MM-PBSA Calculations
inferredcites →https://doi.org/10.1038/s41586-020-2008-3openalex-snapshot
A new coronavirus associated with human respiratory disease in China
inferredcites →https://doi.org/10.1038/s41586-020-2012-7openalex-snapshot
A pneumonia outbreak associated with a new coronavirus of probable bat origin
inferredcites →https://doi.org/10.1038/s41598-019-52308-0openalex-snapshot
Prediction of Deleterious Non-synonymous SNPs of Human STK11 Gene by Combining Algorithms, Molecular Docking, and Molecular Dynamics Simulation
inferredcites →https://doi.org/10.1038/srep05452openalex-snapshot
Baicalin, a metabolite of baicalein with antiviral activity against dengue virus
inferredcites →https://doi.org/10.1056/nejmoa2001017openalex-snapshot
A Novel Coronavirus from Patients with Pneumonia in China, 2019
inferredcites →https://doi.org/10.1056/nejmoa2002032openalex-snapshot
Clinical Characteristics of Coronavirus Disease 2019 in China
inferredcites →https://doi.org/10.1063/1.464397openalex-snapshot
Particle mesh Ewald: An N ⋅log( N ) method for Ewald sums in large systems
inferredcites →https://doi.org/10.1073/pnas.181342398openalex-snapshot
Electrostatics of nanosystems: Application to microtubules and the ribosome
inferredcites →https://doi.org/10.1073/pnas.1835675100openalex-snapshot
The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor
inferredcites →https://doi.org/10.1074/jbc.m708033200openalex-snapshot
Severe Acute Respiratory Syndrome-associated Coronavirus Nucleocapsid Protein Interacts with Smad3 and Modulates Transforming Growth Factor-β Signaling
inferredcites →https://doi.org/10.1080/07391102.2020.1742792openalex-snapshot
Amygdalin as multi-target anticancer drug against targets of cell division cycle: double docking and molecular dynamics simulation
inferredcites →https://doi.org/10.1080/07391102.2020.1751298openalex-snapshot
Identification of chymotrypsin-like protease inhibitors of SARS-CoV-2 via integrated computational approach
inferredcites →https://doi.org/10.1080/07391102.2020.1760137openalex-snapshot
Discovery of potential multi-target-directed ligands by targeting host-specific SARS-CoV-2 structurally conserved main protease
inferredcites →https://doi.org/10.1080/07391102.2020.1764392openalex-snapshot
Using integrated computational approaches to identify safe and rapid treatment for SARS-CoV-2
inferredcites →https://doi.org/10.1080/07391102.2020.1764868openalex-snapshot
Potential inhibitors of coronavirus 3-chymotrypsin-like protease (3CLpro): anin silicoscreening of alkaloids and terpenoids from African medicinal plants
inferredcites →https://doi.org/10.1080/07391102.2020.1772108openalex-snapshot
Withanone and caffeic acid phenethyl ester are predicted to interact with main protease (M pro ) of SARS-CoV-2 and inhibit its activity
inferredcites →https://doi.org/10.1080/07391102.2020.1784289openalex-snapshot
In-silico investigation of phytochemicals from Asparagus racemosus as plausible antiviral agent in COVID-19
inferredcites →https://doi.org/10.1080/07391102.2020.1848634openalex-snapshot
Structure-based identification of potential SARS-CoV-2 main protease inhibitors
inferredcites →https://doi.org/10.1080/22221751.2020.1729069openalex-snapshot
Potent binding of 2019 novel coronavirus spike protein by a SARS coronavirus-specific human monoclonal antibody
inferredcites →https://doi.org/10.1093/bioinformatics/btl461openalex-snapshot
Bio3d: an R package for the comparative analysis of protein structures
inferredcites →https://doi.org/10.1093/nar/gkn739openalex-snapshot
VirusMINT: a viral protein interaction database
inferredcites →https://doi.org/10.1093/nar/gku293openalex-snapshot
SwissTargetPrediction: a web server for target prediction of bioactive small molecules
inferredcites →https://doi.org/10.1093/nar/gkw377openalex-snapshot
Enrichr: a comprehensive gene set enrichment analysis web server 2016 update
inferredcites →https://doi.org/10.1101/gr.1239303openalex-snapshot
Cytoscape: A Software Environment for Integrated Models of Biomolecular Interaction Networks
inferredcites →https://doi.org/10.1109/tcbb.2021.3075299openalex-snapshot
Network-Based Analysis of Fatal Comorbidities of COVID-19 and Potential Therapeutics
inferredcites →https://doi.org/10.1126/science.1085658openalex-snapshot
Coronavirus Main Proteinase (3CL pro ) Structure: Basis for Design of Anti-SARS Drugs
inferredcites →https://doi.org/10.1126/science.1116480openalex-snapshot
Structure of SARS Coronavirus Spike Receptor-Binding Domain Complexed with Receptor
inferredcites →https://doi.org/10.1126/science.abb3405openalex-snapshot
Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors
inferredcites →https://doi.org/10.1186/1756-0500-5-367openalex-snapshot
ACPYPE - AnteChamber PYthon Parser interfacE
inferredcites →https://doi.org/10.1371/journal.pone.0021800openalex-snapshot
REVIGO Summarizes and Visualizes Long Lists of Gene Ontology Terms
inferredcites →https://doi.org/10.1371/journal.ppat.1008392openalex-snapshot
Structure of mouse coronavirus spike protein complexed with receptor reveals mechanism for viral entry
inferredcites →https://doi.org/10.20944/preprints202003.0226.v1openalex-snapshot
Potential Inhibitor of COVID-19 Main Protease (Mpro) From Several Medicinal Plant Compounds by Molecular Docking Study
inferredcites →https://doi.org/10.20944/preprints202003.0247.v1openalex-snapshot
Prediction of Potential 3CLpro-Targeting Anti-SARS-CoV-2 Compounds from Chinese Medicine
inferredcites →https://doi.org/10.20944/preprints202003.0333.v1openalex-snapshot
Identification of Potent COVID-19 Main Protease (Mpro) Inhibitors from Natural Polyphenols: An in Silico Strategy Unveils a Hope against CORONA
inferredcites →https://doi.org/10.20944/preprints202003.0349.v1openalex-snapshot
In Silico Identification of Potent COVID-19 Main Protease Inhibitors from FDA Approved Antiviral Compounds and Active Phytochemicals through Molecular Docking: A Drug Repurposing Approach
inferredcites →https://doi.org/10.20944/preprints202003.0455.v1openalex-snapshot
Eucalyptol (1,8 cineole) from Eucalyptus Essential Oil a Potential Inhibitor of COVID 19 Corona Virus Infection by Molecular Docking Studies
inferredcites →https://doi.org/10.21203/rs.3.rs-21206/v1openalex-snapshot
Theoretical Molecular Docking Study of the Structural Disruption of the Viral 3CL-Protease of COVID19 Induced by Binding of Capsaicin, Piperine and Curcumin Part 1: A Comparative Study with Chloroquine and Hydrochloroquine Two Antimalaric Drugs
inferredcites →https://doi.org/10.2174/138945011793591626openalex-snapshot
Complex Interactions between Phytochemicals. The Multi-Target Therapeutic Concept of Phytotherapy
inferredcites →https://doi.org/10.2174/157016409789973734openalex-snapshot
Computational Analysis of Amino Acid Mutation: A Proteome Wide Perspective
inferredcites →https://doi.org/10.2174/15734099113096660036openalex-snapshot
Recent Advances in Protein−Ligand Interactions: Molecular Dynamics Simulations and Binding Free Energy
inferredcites →https://doi.org/10.2210/pdb1p9s/pdbopenalex-snapshot
Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs
inferredcites →https://doi.org/10.26434/chemrxiv.12355937openalex-snapshot
Nature to Nurture- Identifying Phytochemicals from Indian Medicinal Plants as Prophylactic Medicine by Rational Screening to Be Potent Against Multiple Drug Targets of SARS-CoV-2
inferredcites →https://doi.org/10.26434/chemrxiv.12355937.v1openalex-snapshot
Nature to Nurture- Identifying Phytochemicals from Indian Medicinal Plants as Prophylactic Medicine by Rational Screening to Be Potent Against Multiple Drug Targets of SARS-CoV-2
inferredcites →https://doi.org/10.3390/md18040225openalex-snapshot
Putative Inhibitors of SARS-CoV-2 Main Protease from A Library of Marine Natural Products: A Virtual Screening and Molecular Modeling Study
inferredcites →https://doi.org/10.3390/v11070625openalex-snapshot
Antiviral Efficacy of Flavonoids against Enterovirus 71 Infection in Vitro and in Newborn Mice
inferredcites →https://doi.org/10.4330/wjc.v4.i4.90openalex-snapshot
Role of advanced glycation end products in cardiovascular disease
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9781119818779.ch5openalex-snapshot
Herbal Bioactives for Treating Respiratory Infections
inferred← citeshttps://doi.org/10.1002/bab.70193openalex-snapshot
Repurposing FDA‐Approved Antiviral Drugs Ganciclovir and Acyclovir Against Respiratory Syncytial Virus Nucleoprotein: Molecular Docking, ADMET, PASS, and Molecular Dynamics Simulations
inferred← citeshttps://doi.org/10.1002/bit.28357openalex-snapshot
Coevolving stability and activity of LsCR by a single point mutation and constructing neat substrate bioreaction system
inferred← citeshttps://doi.org/10.1002/cbdv.202403338openalex-snapshot
Azaphenothiazine Conjugates: A New Class of Antimicrobial Compounds
inferred← citeshttps://doi.org/10.1002/jcb.30581openalex-snapshot
PCSK9 inhibitors as safer therapeutics for atherosclerotic cardiovascular disease (ASCVD): Pharmacophore design and molecular dynamics analysis
inferred← citeshttps://doi.org/10.1002/ptr.6961openalex-snapshot
The pharmacological potential of plant compounds and preparations in COVID ‐19: A PTR virtual issue
inferred← citeshttps://doi.org/10.1002/ptr.7420openalex-snapshot
Phytocompounds and COVID ‐19: Two years of knowledge
inferred← citeshttps://doi.org/10.1002/slct.202302295openalex-snapshot
Evaluating the Antiviral Potential of Phytocompounds from Mesua ferrea against SARS‐CoV‐2 Main Protease: Structure‐Based Virtual Screening and Molecular Dynamics Simulation Investigations
inferred← citeshttps://doi.org/10.1007/978-3-031-29006-0_13-1openalex-snapshot
Phytochemical and Biological Aspects of Zephyranthes citrina Baker
inferred← citeshttps://doi.org/10.1007/978-3-031-44746-4_13openalex-snapshot
Phytochemical and Biological Aspects of Zephyranthes citrina Baker
inferred← citeshttps://doi.org/10.1007/s00894-022-05336-zopenalex-snapshot
Identification of natural inhibitor against L1 β-lactamase present in Stenotrophomonas maltophilia
inferred← citeshttps://doi.org/10.1007/s10787-023-01385-9openalex-snapshot
Nigella sativa and its chemical constituents: pre-clinical and clinical evidence for their potential anti-SARS-CoV-2 effects
inferred← citeshttps://doi.org/10.1007/s10930-025-10309-1openalex-snapshot
Halved but Potent: Exploring the Inhibitory Property of Curcumin Derivatives Against Evolving SARS-CoV-2 Strains
inferred← citeshttps://doi.org/10.1007/s11030-021-10226-2openalex-snapshot
Identification of phytocompounds from Houttuynia cordata Thunb. as potential inhibitors for SARS-CoV-2 replication proteins through GC–MS/LC–MS characterization, molecular docking and molecular dynamics simulation
inferred← citeshttps://doi.org/10.1007/s11030-021-10304-5openalex-snapshot
Identification of tyrosine kinase inhibitors from Panax bipinnatifidus and Panax pseudoginseng for RTK—HER2 and VEGFR2 receptors, by in silico approach
inferred← citeshttps://doi.org/10.1007/s11030-024-10821-zopenalex-snapshot
Identification of novel potential cathepsin-B inhibitors through pharmacophore-based virtual screening, molecular docking, and dynamics simulation studies for the treatment of Alzheimer’s disease
inferred← citeshttps://doi.org/10.1007/s11274-025-04451-2openalex-snapshot
Pseudomonas gessardii suppresses Xanthomonas vesicatoria through 4-Dodecylbenzene sulfonic acid interference with virulence proteins
inferred← citeshttps://doi.org/10.1007/s12013-024-01359-wopenalex-snapshot
Regulation of NS5B Polymerase Activity of Hepatitis C Virus by Target Specific Phytotherapeutics: An In-Silico Molecular Dynamics Approach
inferred← citeshttps://doi.org/10.1007/s13721-025-00667-2openalex-snapshot
Harnessing Artemisia argyi’s phytochemicals: a deep learning and molecular docking approach for targeting cancer and inflammation
inferred← citeshttps://doi.org/10.1007/s40203-025-00407-4openalex-snapshot
In-silico identification of COX-2 inhibitory phytochemicals from traditional medicinal plants: molecular docking, dynamics, and safety predictions
inferred← citeshttps://doi.org/10.1007/s40203-025-00536-wopenalex-snapshot
In-silico assessment of phytochemical derivatives generated using CHEESE webserver for advancement of druggable candidate in pancreatic cancer therapy
inferred← citeshttps://doi.org/10.1007/s42452-024-05845-xopenalex-snapshot
A comprehensive review of phytochemicals of Withania somnifera (L.) Dunal (Solanaceae) as antiviral therapeutics
inferred← citeshttps://doi.org/10.1007/s42535-023-00754-7openalex-snapshot
Identification of phytocompounds from Paris polyphylla Smith as potential inhibitors for HER2 & VEGFR2 cancer genes using molecular docking and molecular dynamics simulation studies
inferred← citeshttps://doi.org/10.1016/b978-0-443-16102-5.00010-9openalex-snapshot
Unveiling the power of phytochemicals: Virtual screening of phytochemicals
inferred← citeshttps://doi.org/10.1016/j.bbrc.2026.154167openalex-snapshot
In vitro alpha amylase and protein denaturation inhibitory activity of newer generation Schiff base Oxazolone derivatives: Synthesis, chemical characterization, molecular docking, MD simulation, DFT, ADMET, and bioactivity
inferred← citeshttps://doi.org/10.1016/j.bbrep.2023.101459openalex-snapshot
Molecular modeling and simulations of some antiviral drugs, benzylisoquinoline alkaloid, and coumarin molecules to investigate the effects on Mpro main viral protease inhibition
inferred← citeshttps://doi.org/10.1016/j.bioorg.2024.108027openalex-snapshot
Design, synthesis, biological evaluations and in silico studies of (Z)-2-(2,4-dioxothiazolidin-5-ylidene)methyl)-2-ethoxyphenyl-alkyl/arylsulfonates as potential α-glucosidase inhibitors
inferred← citeshttps://doi.org/10.1016/j.chphi.2023.100292openalex-snapshot
Quantum computational, spectroscopic, ADMET, molecular docking and dynamics simulation revealing the inhibition of psoralidin against anti-tuberculosis
inferred← citeshttps://doi.org/10.1016/j.compbiomed.2021.104631openalex-snapshot
Identification of potential plant bioactive as SARS-CoV-2 Spike protein and human ACE2 fusion inhibitors
inferred← citeshttps://doi.org/10.1016/j.compbiomed.2023.106785openalex-snapshot
Identification of medicinal plant-based phytochemicals as a potential inhibitor for SARS-CoV-2 main protease (Mpro) using molecular docking and deep learning methods
inferred← citeshttps://doi.org/10.1016/j.compbiomed.2024.109203openalex-snapshot
Computational exploration of novel ketoprofen derivatives: Molecular dynamics simulations and MM-PBSA calculations for COX-2 inhibition as promising anti-inflammatory drugs
inferred← citeshttps://doi.org/10.1016/j.fbio.2026.108986openalex-snapshot
Evaluation of Eupatorium perfoliatum loaded chitosan nanocarriers in silico, in vitro and in vivo for anti-inflammatory, antipyretic and analgesic potential
inferred← citeshttps://doi.org/10.1016/j.heliyon.2024.e34183openalex-snapshot
Insights on the comparative affinity of ribonucleic acids with plant-based beta carboline alkaloid, harmine: Spectroscopic, calorimetric and computational evaluation
inferred← citeshttps://doi.org/10.1016/j.humgen.2024.201321openalex-snapshot
Integrative bioinformatics analysis for the identification of hub genes and Virtual screening of phytochemicals to inhibit AURKA in HepatoCellular carcinoma
inferred← citeshttps://doi.org/10.1016/j.ijbiomac.2024.136201openalex-snapshot
Widely-targeted in silico and in vitro evaluation of veratrum alkaloid analogs as FAK inhibitors and dual targeting of FAK and Hh/SMO pathways for cancer therapy: A critical analysis
inferred← citeshttps://doi.org/10.1016/j.insi.2025.100108openalex-snapshot
Repurposing troglitazone and pioglitazone as breast cancer therapeutics: An integrated computational study
inferred← citeshttps://doi.org/10.1016/j.jics.2024.101196openalex-snapshot
Quercetin derivatives as potential inhibitors of Nipah virus phosphoprotein through in silico drug design approaches
inferred← citeshttps://doi.org/10.1016/j.lddd.2026.100559openalex-snapshot
In vitro protein denaturation inhibitory activity of newer generation pyrimidine schiff base derivatives: Synthesis, chemical characterization, molecular docking, MD simulation, DFT, ADMET, and bioactivity
inferred← citeshttps://doi.org/10.1016/j.molliq.2022.118901openalex-snapshot
Molecular dynamics simulation approach for discovering potential inhibitors against SARS-CoV-2: A structural review
inferred← citeshttps://doi.org/10.1016/j.molstruc.2021.131974openalex-snapshot
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)
inferred← citeshttps://doi.org/10.1016/j.molstruc.2024.140972openalex-snapshot
Design, synthesis and characterization of new amide-linked Chromone-Isoxazole Hybrids: In Vitro anti-bacterial and antioxidant evaluation, DFT calculations, ADMET profiling, docking and molecular dynamics simulation
inferred← citeshttps://doi.org/10.1016/j.phyplu.2020.100002openalex-snapshot
Nature's therapy for COVID-19: Targeting the vital non-structural proteins (NSP) from SARS-CoV-2 with phytochemicals from Indian medicinal plants
inferred← citeshttps://doi.org/10.1016/j.phyplu.2022.100286openalex-snapshot
Ayurvedic formulations: Potential COVID-19 therapeutics?
inferred← citeshttps://doi.org/10.1016/j.sciaf.2023.e01568openalex-snapshot
Ameliorative potential of Acalypha wilkesiana leaf extract (subsp. macrophylla) on cyanide-induced renal damaged Wister rats
inferred← citeshttps://doi.org/10.1016/j.sesb.2026.100026openalex-snapshot
Ethnopharmacology in contemporary cancer research: Systems perspectives and translational opportunities
inferred← citeshttps://doi.org/10.1021/acs.chemrev.1c00965openalex-snapshot
Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2
inferred← citeshttps://doi.org/10.1021/acs.jafc.4c13142openalex-snapshot
Structural Analysis and Mutability Landscape-Guided Engineering of ω-Transaminase for Improved Catalytic Performance
inferred← citeshttps://doi.org/10.1021/acsomega.5c09368openalex-snapshot
Structure-Based and AI-Assisted Identification of AGPS Inhibitors for Glioma via Integrated Docking, Molecular Dynamics, and Binding Affinity Screening
inferred← citeshttps://doi.org/10.1080/07391102.2021.1997820openalex-snapshot
Regulation of neuronal repair and regeneration through inhibition of oligodendrocyte myelin glycoprotein (OMgp)
inferred← citeshttps://doi.org/10.1080/07391102.2023.2196703openalex-snapshot
Revealing anti-fungal potential of plant-derived bioactive therapeutics in targeting secreted aspartyl proteinase (SAP) of Candida albicans : a molecular dynamics approach
inferred← citeshttps://doi.org/10.1080/07391102.2023.2205948openalex-snapshot
QSAR modeling approaches to identify a novel ACE2 inhibitor that selectively bind with the C and N terminals of the ectodomain
inferred← citeshttps://doi.org/10.1080/07391102.2023.2254398openalex-snapshot
Identification and molecular docking of novel chikungunya virus NSP4 inhibitory peptides from camel milk proteins
inferred← citeshttps://doi.org/10.1080/07391102.2023.2268198openalex-snapshot
In-silico prediction of TGF-β1 non-synonymous variants and their impact on binding affinity to Fresolimumab
inferred← citeshttps://doi.org/10.1080/07391102.2023.2297009openalex-snapshot
A computational investigation of potential plant-based bioactive compounds against drug-resistant Staphylococcus aureus of multiple target proteins
inferred← citeshttps://doi.org/10.1080/07391102.2024.2427370openalex-snapshot
Discovering Lassa virus nucleoprotein inhibitors via in silico drug repositioning approach
inferred← citeshttps://doi.org/10.1080/07391102.2024.2439043openalex-snapshot
Assessment of binding affinity of major bioactive compounds from Momordica charantia , Azadirachta indica , Nelumbo nucifera , Caesalpinia crista , Martynia annua and Erythrina variegate to COX-2 receptor: an in silico study
inferred← citeshttps://doi.org/10.1080/07391102.2024.2446666openalex-snapshot
Integrated pharmacophore-based virtual screening and molecular modeling approaches for the identification of sigma-2 receptor antagonists as novel therapeutics against Alzheimer’s disease
inferred← citeshttps://doi.org/10.1080/08927022.2025.2481989openalex-snapshot
Screening of 60,544 Traditional Chinese Medicine (TCM) compounds against the most oncogenic K-Ras(G12D) mutation switch-I/II allosteric pocket: a comprehensive structure-based screening and pharmacokinetics evaluation
inferred← citeshttps://doi.org/10.1101/2024.06.02.595921openalex-snapshot
Inhibition of the HSP90 homodimerization and HSP90-HIF1α interactions by employing small molecules at C-terminal ATP binding site of HSP90
inferred← citeshttps://doi.org/10.1155/2024/9377016openalex-snapshot
Exploring Lead-Like Molecules of Traditional Chinese Medicine for Treatment Quest against Aliarcobacter butzleri: In Silico Toxicity Assessment, Dynamics Simulation, and Pharmacokinetic Profiling
inferred← citeshttps://doi.org/10.1177/11779322251324859openalex-snapshot
Revolutionizing Chikungunya Vaccines: mRNA Breakthroughs With Molecular and Immune Simulations
inferred← citeshttps://doi.org/10.1177/14738716261459476openalex-snapshot
Exploring data visualization techniques in molecular dynamics: Analysis of dynamic cross-correlation maps as dynamic networks
inferred← citeshttps://doi.org/10.1177/1934578x221143637openalex-snapshot
Exploring the Potential Mechanism of Danshen in the Treatment of Concurrent Ischemic Heart Disease and Depression Using Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation
inferred← citeshttps://doi.org/10.1371/journal.pone.0251801openalex-snapshot
Natural plant products as potential inhibitors of RNA dependent RNA polymerase of Severe Acute Respiratory Syndrome Coronavirus-2
inferred← citeshttps://doi.org/10.21203/rs.3.rs-7381027/v1openalex-snapshot
In-silico assessment of structure-based derivatives of phytochemicals from CHEESE webserver for anti-EZH2: advancing druggable lead identification for pancreatic cancer therapy
inferred← citeshttps://doi.org/10.2142/biophysico.bppb-v21.0007openalex-snapshot
Molecular dynamics simulation analysis of structural dynamic cross correlation induced by odorant hydrogen-bonding in mouse eugenol ol- factory receptor
inferred← citeshttps://doi.org/10.2174/0115734099297360240312043642openalex-snapshot
Repurposing of Compounds from Streptomyces spp. as Potential Inhibitors of Aminoacyltransferase FemA: An Essential Drug Target against Antibiotic-resistant Staphylococcus aureus
inferred← citeshttps://doi.org/10.2174/1386207325666220629161828openalex-snapshot
An Overview on Immunity Booster Foods in Coronavirus Disease (COVID-19)
inferred← citeshttps://doi.org/10.2174/1570178619666220309160557openalex-snapshot
A Comprehensive Review on In Silico-predicted Potential Phytochemicals against SARS-CoV-2: Food for Thought for Researchers
inferred← citeshttps://doi.org/10.2174/1570180818666210804141613openalex-snapshot
Sequence Analysis, Structure Prediction of Receptor Proteins and In Silico Study of Potential Inhibitors for Management of Life Threatening COVID-19
inferred← citeshttps://doi.org/10.21926/obm.genet.2303186openalex-snapshot
An Evidence of Drug Repurposing for COVID-19 Pandemic Based on In silico Investigation from Phenolic Derivatives of Silybum Marianum Against SARS-Cov-2 Proteins
inferred← citeshttps://doi.org/10.26434/chemrxiv.12661214openalex-snapshot
Natures Therapy for COVID-19: Targeting the Vital Non-Structural Proteins (NSP) from SARS-CoV-2 with Phytochemicals from Indian Medicinal Plants
inferred← citeshttps://doi.org/10.26434/chemrxiv.12661214.v1openalex-snapshot
Natures Therapy for COVID-19: Targeting the Vital Non-Structural Proteins (NSP) from SARS-CoV-2 with Phytochemicals from Indian Medicinal Plants
inferred← citeshttps://doi.org/10.26434/chemrxiv.14499306openalex-snapshot
Free Energy Landscapes and Residue Network Analysis for Six SARS-CoV-2 Targets in Complex with Plausible Phytochemical Inhibitors from Withania Somnifera: 1 µS Molecular Dynamics Simulations
inferred← citeshttps://doi.org/10.26434/chemrxiv.14499306.v1openalex-snapshot
Free Energy Landscapes and Residue Network Analysis for Six SARS-CoV-2 Targets in Complex with Plausible Phytochemical Inhibitors from Withania Somnifera: 1 µS Molecular Dynamics Simulations
inferred← citeshttps://doi.org/10.2991/978-94-6463-020-6_7openalex-snapshot
Phytochemicals as Potential Drug Candidates for SARS Cov-2: An RDRp Based In-Silico Drug Designing
inferred← citeshttps://doi.org/10.3389/fbinf.2024.1482338openalex-snapshot
Identification of novel drug targets for Helicobacter pylori: structure-based virtual screening of potential inhibitors against DAH7PS protein involved in the shikimate pathway
inferred← citeshttps://doi.org/10.3389/fonc.2024.1360745openalex-snapshot
In silico evaluation of anti-colorectal cancer inhibitors by Resveratrol derivatives targeting Armadillo repeats domain of APC: molecular docking and molecular dynamics simulation
inferred← citeshttps://doi.org/10.3389/fphar.2020.621099openalex-snapshot
Targeting Neurological Manifestations of Coronaviruses by Candidate Phytochemicals: A Mechanistic Approach
inferred← citeshttps://doi.org/10.3389/fphar.2021.623795openalex-snapshot
Withania somnifera (L.) Dunal: Opportunity for Clinical Repurposing in COVID-19 Management
inferred← citeshttps://doi.org/10.3389/fphar.2022.891535openalex-snapshot
The Antimicrobial Potential of the Neem Tree Azadirachta indica
inferred← citeshttps://doi.org/10.3390/ijms26125835openalex-snapshot
Allosteric Coupling in Full-Length Lyn Kinase Revealed by Molecular Dynamics and Network Analysis
inferred← citeshttps://doi.org/10.3390/microorganisms11041000openalex-snapshot
Phytochemicals of Withania somnifera as a Future Promising Drug against SARS-CoV-2: Pharmacological Role, Molecular Mechanism, Molecular Docking Evaluation, and Efficient Delivery
inferred← citeshttps://doi.org/10.3390/molecules28124860openalex-snapshot
A Comprehensive Update of Various Attempts by Medicinal Chemists to Combat COVID-19 through Natural Products
inferred← citeshttps://doi.org/10.3390/molecules30071412openalex-snapshot
The Dynamical Asymmetry in SARS-CoV2 Protease Reveals the Exchange Between Catalytic Activity and Stability in Homodimers
inferred← citeshttps://doi.org/10.3390/ph19050730openalex-snapshot
Visceral Leishmaniasis: Integrated In Silico Screening of Djiboutian Medicinal Plant Phytoconstituents Targeting Leishmania donovani and Leishmania infantum
inferred← citeshttps://doi.org/10.53552/ijmfmap.9.2.2023.12-24openalex-snapshot
Azadirachta indica –Neem-A natural gift for prevention and treatment of chronic diseases- A review
inferred← citeshttps://doi.org/10.7324/japs.2021.110402openalex-snapshot
Medicinal and therapeutic potential of withanolides from Withania somnifera against COVID-19
showing the first 89 of 90 · page through all 90
Editorial review for independent work. ICSAC — the Institute for Complexity
Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
and goes through ORCID: icsacinstitute.org/submit.