Molecular modeling and structural studies of 12-mer immobile four-way DNA junction in solution

por Yadav, Ramesh Kumar, Yadava, Umesh
Publicado 2014

Speculative analysis on the electronic structure, IR assignments and molecular docking of N-{4-[(4-amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)sulfonyl]phenyl}acetamide, an ant...

por Shukla, Bindesh Kumar, Yadava, Umesh
Publicado 2020

Editorial: Advances in the therapeutic targeting of human matrix metalloproteinases in health and disease

por Bharadwaj, Shiv, Sahoo, Amaresh Kumar, Yadava, Umesh
Publicado 2023

Evaluation of caffeine as inhibitor against collagenase, elastase and tyrosinase using in silico and in vitro approach

por Eun Lee, Kyung, Bharadwaj, Shiv, Yadava, Umesh, Gu Kang, Sang
Publicado 2019

Computational and In Vitro Investigation of (-)-Epicatechin and Proanthocyanidin B2 as Inhibitors of Human Matrix Metalloproteinase 1

por Lee, Kyung Eun, Bharadwaj, Shiv, Yadava, Umesh, Kang, Sang Gu
Publicado 2020

Determination of tyrosinase-cyanidin-3-O-glucoside and (−/+)-catechin binding modes reveal mechanistic differences in tyrosinase inhibition

por Lee, Kyung Eun, Bharadwaj, Shiv, Sahoo, Amaresh Kumar, Yadava, Umesh, Kang, Sang Gu
Publicado 2021

Drug repurposing for ligand-induced rearrangement of Sirt2 active site-based inhibitors via molecular modeling and quantum mechanics calculations

por Bharadwaj, Shiv, Dubey, Amit, Kamboj, Nitin Kumar, Sahoo, Amaresh Kumar, Kang, Sang Gu, Yadava, Umesh
Publicado 2021

Understanding the self-assembly dynamics of A/T absent ‘four-way DNA junctions with sticky ends’ at altered physiological conditions through molecular dynamics simulations

por Singh, Akanksha, Yadav, Ramesh Kumar, Shati, Ali, Kamboj, Nitin Kumar, Hasssan, Hesham, Bharadwaj, Shiv, Rana, Rashmi, Yadava, Umesh
Publicado 2023

Discovery of Ganoderma lucidum triterpenoids as potential inhibitors against Dengue virus NS2B-NS3 protease

por Bharadwaj, Shiv, Lee, Kyung Eun, Dwivedi, Vivek Dhar, Yadava, Umesh, Panwar, Aleksha, Lucas, Stuart. J., Pandey, Amit, Kang, Sang Gu
Publicado 2019

Natural Product-Based 1,2,3-Triazole/Sulfonate Analogues as Potential Chemotherapeutic Agents for Bacterial Infections

por Aneja, Babita, Azam, Mudsser, Alam, Shadab, Perwez, Ahmad, Maguire, Ronan, Yadava, Umesh, Kavanagh, Kevin, Daniliuc, Constantin G., Rizvi, M. Moshahid A., Haq, Qazi Mohd. Rizwanul, Abid, Mohammad
Publicado 2018

Structure-Based Identification of Natural Products as SARS-CoV-2 M(pro) Antagonist from Echinacea angustifolia Using Computational Approaches

por Bharadwaj, Shiv, El-Kafrawy, Sherif Aly, Alandijany, Thamir A., Bajrai, Leena Hussein, Shah, Altaf Ahmad, Dubey, Amit, Sahoo, Amaresh Kumar, Yadava, Umesh, Kamal, Mohammad Amjad, Azhar, Esam Ibraheem, Kang, Sang Gu, Dwivedi, Vivek Dhar
Publicado 2021