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Umesh Yadava

Observed names: U. Yadava, Yadava, U., Yadava, Umesh
ORCID: 0000-0002-9127-532X
Observed ORCID: 0000-0002-9127-532X
OpenAlex ID: A5027500407
Exploration of natural compounds with anti-SARS-CoV-2 activityviainhibition of SARS-CoV-2 Mpro
2020 · Shiv Bharadwaj, Amit Dubey, et al. · Briefings in Bioinformatics · 221
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Discovery of Ganoderma lucidum triterpenoids as potential inhibitors against Dengue virus NS2B-NS3 protease
2019 · Shiv Bharadwaj, Kyung Eun Lee, et al. · Scientific Reports · 130
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Drug repurposing for ligand-induced rearrangement of Sirt2 active site-based inhibitors via molecular modeling and quantum mechanics calculations
2021 · Shiv Bharadwaj, Amit Dubey, et al. · Scientific Reports · 105
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Evaluation of caffeine as inhibitor against collagenase, elastase and tyrosinase using in silico and in vitro approach
2019 · Kyung Eun Lee, Shiv Bharadwaj, et al. · Journal of Enzyme Inhibition and Medicinal Chemistry · 87
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Natural Product-Based 1,2,3-Triazole/Sulfonate Analogues as Potential Chemotherapeutic Agents for Bacterial Infections
2018 · Babita Aneja, Mudsser Azam, et al. · ACS Omega · 87
Synthesis, QSAR and anticandidal evaluation of 1,2,3-triazoles derived from naturally bioactive scaffolds
2015 · Mohammad Irfan, Babita Aneja, et al. · European Journal of Medicinal Chemistry · 79
Anti-dengue infectivity evaluation of bioflavonoid from Azadirachta indica by dengue virus serine protease inhibition
2020 · Vivek Dhar Dwivedi, Shiv Bharadwaj, et al. · Journal of Biomolecular Structure and Dynamics · 76
SARS-CoV-2 M pro inhibitors: identification of anti-SARS-CoV-2 M pro compounds from FDA approved drugs
2020 · Shiv Bharadwaj, Esam Ibraheem Azhar, et al. · Journal of Biomolecular Structure and Dynamics · 49
Structure-based screening and validation of bioactive compounds as Zika virus methyltransferase (MTase) inhibitors through first-principle density functional theory, classical molecular simulation and QM/MM affinity estimation
2020 · Shiv Bharadwaj, Akhilesh Kumar Rao, et al. · Journal of Biomolecular Structure and Dynamics · 49
Stabilization of Microtubules by Taxane Diterpenoids: Insight from Docking and MD simulations
2014 · Umesh Yadava, Hariom Gupta, et al. · Journal of Biological Physics · 44
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Pyrazolo[3,4-d]pyrimidines as inhibitor of anti-coagulation and inflammation activities of phospholipase A 2 : insight from molecular docking studies
2013 · Umesh Yadava, Maheshwer Singh, et al. · Journal of Biological Physics · 41
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Search algorithms and scoring methods in protein-ligand docking
2018 · Umesh Yadava · Endocrinology&Metabolism International Journal · 38
Structure-Based Identification of Natural Products as SARS-CoV-2 Mpro Antagonist from Echinacea angustifolia Using Computational Approaches
2021 · Shiv Bharadwaj, Sherif Aly El-Kafrawy, et al. · Viruses · 36
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Computational and In Vitro Investigation of (-)-Epicatechin and Proanthocyanidin B2 as Inhibitors of Human Matrix Metalloproteinase 1
2020 · Kyung Lee, Shiv Bharadwaj, et al. · Biomolecules · 35
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Pyrazolo[3,4-d]pyrimidines as novel inhibitors of O-acetyl-l-serine sulfhydrylase of Entamoeba histolytica: an in silico study
2015 · Umesh Yadava, Bindesh Kumar Shukla, et al. · Journal of Molecular Modeling · 34
Synthesis, spectral characterization and antimicrobial studies of nano-sized oxovanadium(IV) complexes with Schiff bases derived from 5-(phenyl/substituted phenyl)-2-hydrazino-1,3,4-thiadiazole and indoline-2,3-dione
2014 · M.K. Sahani, U. Yadava, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 33
Determination of tyrosinase-cyanidin-3-O-glucoside and (−/+)-catechin binding modes reveal mechanistic differences in tyrosinase inhibition
2021 · Kyung Eun Lee, Shiv Bharadwaj, et al. · Scientific Reports · 31
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Anti-leishmanial and cytotoxic activities of amino acid-triazole hybrids: Synthesis, biological evaluation, molecular docking and in silico physico-chemical properties
2017 · Mir Mohammad Masood, Phool Hasan, et al. · Bioorganic & Medicinal Chemistry Letters · 31
Synthesis, biological evaluation and molecular docking studies of novel quinazolinones as antitubercular and antimicrobial agents
2021 · Sarvesh Kumar Pandey, Umesh Yadava, et al. · Bioorganic Chemistry · 29
Gas-phase conformational and intramolecular π–π interaction studies on some pyrazolo[3,4-d]pyrimidine derivatives
2011 · Umesh Yadava, Maheshwer Singh, et al. · Computational and Theoretical Chemistry · 29
Novel anti-tubulin agents from plant and marine origins: insight from a molecular modeling and dynamics study
2017 · Umesh Yadava, Vivek Kumar Yadav, et al. · RSC Advances · 28
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DFT calculations on molecular structure, MEP and HOMO-LUMO study of 3-phenyl-1-(methyl-sulfonyl)-1H-pyrazolo[3,4-d]pyrimidine-4-amine
2020 · Bindesh Kumar Shukla, Umesh Yadava · Materials Today Proceedings · 25
Density functional theory and molecular dynamics simulation support Ganoderma lucidum triterpenoids as broad range antagonist of matrix metalloproteinases
2020 · Shiv Bharadwaj, Kyung Eun Lee, et al. · Journal of Molecular Liquids · 24
Investigation of DNA binding and molecular docking propensity of phthalimide derivatives: in vitro antibacterial and antioxidant assay
2019 · Rizwan Arif, Pattan Sirajuddin Nayab, et al. · Journal of Analytical Science & Technology · 24
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A comparison of crystallographic and DFT optimized geometries on two taxane diterpenoids and docking studies with phospholipase A2
2011 · Umesh Yadava, Hariom Gupta, et al. · Medicinal Chemistry Research · 22
Works count: 113
Citation count: 1,706
H-index: 24
I10-index: 40
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