E. Rathi

发表

Identification of potential tumour-associated carbonic anhydrase isozyme IX inhibitors: atom-based 3D-QSAR modelling, pharmacophore-based virtual screening and molecular docking studies

Avinash Kumar, E. Rathi, Suvarna G. Kini, 2020, Journal of biomolecular structure & dynamics.

Pharmacophore-guided fragment-based design of novel mammalian target of rapamycin inhibitors: extra precision docking, fingerprint-based 2D and atom-based 3D-QSAR modelling

Avinash Kumar, E. Rathi, Suvarna G. Kini, 2020, Journal of biomolecular structure & dynamics.

Exploration of small-molecule entry disruptors for chikungunya virus by targeting matrix remodelling associated protein

Avinash Kumar, E. Rathi, Suvarna G. Kini, 2020, Research in pharmaceutical sciences.

Potentials of Diphenyl Ether Scaffold as a Therapeutic Agent: A Review.

Avinash Kumar, E. Rathi, Suvarna G. Kini, 2019, Mini reviews in medicinal chemistry.

Computational design of a broad-spectrum multi-epitope vaccine candidate against seven strains of human coronaviruses

Avinash Kumar, E. Rathi, S. Kini, 2022, 3 Biotech.

Molecular dynamics guided insight, binding free energy calculations and pharmacophore-based virtual screening for the identification of potential VEGFR2 inhibitors

Avinash Kumar, E. Rathi, S. Kini, 2019, Journal of receptor and signal transduction research.

Computational approaches in efflux pump inhibitors: current status and prospects.

Avinash Kumar, E. Rathi, S. Kini, 2020, Drug discovery today.

Is viral E6 oncoprotein a viable target? A critical analysis in the context of cervical cancer.

R. Hariharapura, Avinash Kumar, E. Rathi, 2020, Medicinal research reviews.

E-pharmacophore modelling, virtual screening, molecular dynamics simulations and in-silico ADME analysis for identification of potential E6 inhibitors against cervical cancer

Avinash Kumar, E. Rathi, S. Kini, 2019, Journal of Molecular Structure.

A review on anticancer potentials of benzothiazole derivatives.

E. Rathi, Nitesh Kumar, C. M. Rao, 2019, Mini reviews in medicinal chemistry.

Immunoinformatics approach for a novel multi-epitope vaccine construct against spike protein of human coronaviruses

Avinash Kumar, E. Rathi, S. Kini, 2021, bioRxiv.

Computer-aided identification of human carbonic anhydrase isoenzyme VII inhibitors as potential antiepileptic agents

Avinash Kumar, E. Rathi, Paridhi Agarwal, 2020, Journal of biomolecular structure & dynamics.

Identification of E6 Inhibitors Employing Energetically Optimized Structure‐Based Pharmacophore Modelling, Ligand Docking and Molecular Dynamics Simulations Studies

Avinash Kumar, E. Rathi, S. Kini, 2019, ChemistrySelect.

Design of Potential Inhibitors and Prediction of their Activity by the Structural Insight of VEGFR2 Inhibitors: Atom‐based 3D‐QSAR, Fingerprint‐based 2D QSAR and Off‐target analysis.

Suvarna, Avinash Kumar, E. Rathi, 2020 .

e-Pharmacophore model-guided design of potential DprE1 inhibitors: synthesis, in vitro antitubercular assay and molecular modelling studies

Avinash Kumar, E. Rathi, S. Kini, 2021, Chemical Papers.

Identification of Potential DNA Gyrase Inhibitors: Virtual Screening, Extra-Precision Docking and Molecular Dynamics Simulation Study

Avinash Kumar, E. Rathi, S. Kini, 2022, bioRxiv.

Drug repurposing approach for the identification and designing of potential E6 inhibitors against cervical cancer: an in silico investigation

Avinash Kumar, E. Rathi, S. Kini, 2019, Structural Chemistry.

Repurposing of existing FDA approved drugs for Neprilysin inhibition: An in-silico study

S. Manandhar, Avinash Kumar, E. Rathi, 2020, Journal of Molecular Structure.

Structure-activity relationship mediated molecular insights of DprE1 inhibitors: A Comprehensive Review.

A. Joseph, Avinash Kumar, E. Rathi, 2023, Journal of biomolecular structure & dynamics.

An in silico drug repurposing approach to identify HDAC1 inhibitors against glioblastoma.

E. Rathi, A. Kishore, R. Sankhe, 2024, Journal of biomolecular structure & dynamics.

A recent appraisal of artificial intelligence and in silico ADMET prediction in the early stages of drug discovery.

Avinash Kumar, E. Rathi, S. Kini, 2021, Mini reviews in medicinal chemistry.