Quercetin and coumarin inhibit dipeptidyl peptidase-IV and exhibits antioxidant properties: In silico, in vitro, ex vivo

AK Singh, PK Patel, K Choudhary, J Joshi, D Yadav… - Biomolecules, 2020 - mdpi.com
Quercetin and coumarin, two naturally occurring phytochemicals of plant origin, are known
to regulate hyperglycemia and oxidative stress. The present study was designed to evaluate …

Shape-based machine learning models for the potential novel COVID-19 protease inhibitors assisted by molecular dynamics simulation

A Nayarisseri, R Khandelwal… - Current topics in …, 2020 - ingentaconnect.com
Background: The vast geographical expansion of novel coronavirus and an increasing
number of COVID-19 affected cases have overwhelmed health and public health services …

Most promising compounds for treating COVID-19 and recent trends in antimicrobial & antifungal agents

A Nayarisseri - Current topics in medicinal chemistry, 2020 - ingentaconnect.com
Multidrug resistance in microbes poses a major health crisis and demands for the discovery
of novel antimicrobial agents. The recent pandemic of SARS-CoV-2 has raised a public …

[HTML][HTML] An in silico approach to identify high affinity small molecule targeting m-TOR inhibitors for the clinical treatment of breast cancer

K Patidar, U Panwar, S Vuree, J Sweta… - Asian Pacific journal …, 2019 - ncbi.nlm.nih.gov
Breast cancer is the most frequent malignancy among women. It is a heterogeneous disease
with different subtypes defined by its hormone receptor. A hormone receptor is mainly …

Structure-based virtual screening for the identification of high affinity compounds as potent VEGFR2 inhibitors for the treatment of renal cell carcinoma

K Sharma, K Patidar, MA Ali, P Patil… - Current topics in …, 2018 - ingentaconnect.com
Introduction: Renal Cell Carcinoma is a common type of renal cancer-causing deaths
worldwide which is characterized by sustained angiogenesis. VEGF and its receptors play a …

[HTML][HTML] Design of PD-L1 inhibitors for lung cancer

T Udhwani, S Mukherjee, K Sharma, J Sweta… - …, 2019 - ncbi.nlm.nih.gov
The progression of lung cancer is associated with inactivation of programmed cell death
protein 1, abbreviated as PD-1 which regulates the suppression of the body's immune …

An in silico investigation of potential EGFR inhibitors for the clinical treatment of colorectal cancer

M Majhi, MA Ali, A Limaye, K Sinha… - Current topics in …, 2018 - ingentaconnect.com
Colorectal cancer possesses the third highest diagnostic rate and is the second leading
cause of cancer death in the USA as reported by NIH. Epidermal Growth Factor Receptor …

[HTML][HTML] Design of novel JAK3 Inhibitors towards Rheumatoid Arthritis using molecular docking analysis

D Jain, T Udhwani, S Sharma, A Gandhe… - …, 2019 - ncbi.nlm.nih.gov
Multiple cytokines play a pivotal role in the pathogenesis of Rheumatoid Arthritis by inducing
intracellular signaling and it is known that the members of the Janus kinase (JAK) family are …

[HTML][HTML] Virtual screening of IL-6 inhibitors for idiopathic arthritis

P Shukla, R Khandelwal, D Sharma, A Dhar… - …, 2019 - ncbi.nlm.nih.gov
Juvenile idiopathic arthritis (JIA) is a heterogeneous disease characterized by the arthritis of
unknown origin and IL6 is a known target for JIA. 20 known inhibitors towards IL-6 were …

[HTML][HTML] Identification of high-affinity small molecule targeting IDH2 for the clinical treatment of acute myeloid leukemia

J Sweta, R Khandelwal, S Srinitha… - Asian Pacific journal …, 2019 - ncbi.nlm.nih.gov
Acute myeloid leukemia (AML) is symbolized by an increase in the number of myeloid cells
in the bone marrow and an arrest in their maturation, frequently resulting in hematopoietic …