Structure-based virtual screening and molecular dynamics simulation of SARS-CoV-2 Guanine-N7 methyltransferase (nsp14) for identifying antiviral inhibitors against …
The recent pandemic caused by Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-
CoV-2) calls the whole world into a medical emergency. For tackling Coronavirus Disease …
CoV-2) calls the whole world into a medical emergency. For tackling Coronavirus Disease …
Atom-based 3D-QSAR, molecular docking, DFT, and simulation studies of acylhydrazone, hydrazine, and diazene derivatives as IN-LEDGF/p75 inhibitors
Since HIV-1 integrase makes use of host genome machinery to accomplish the replication
process, where LEDGF/p75 (a cellular cofactor) executes in the lentiviral integration process …
process, where LEDGF/p75 (a cellular cofactor) executes in the lentiviral integration process …
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 …
number of COVID-19 affected cases have overwhelmed health and public health services …
SARS-CoV-2 mutations and COVID-19 clinical outcome: mutation global frequency dynamics and structural modulation hold the key
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has had an enormous
burden on the healthcare system worldwide as a consequence of its new emerging variants …
burden on the healthcare system worldwide as a consequence of its new emerging variants …
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 …
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 …
with different subtypes defined by its hormone receptor. A hormone receptor is mainly …
In silico virtual screening of potent inhibitor to hamper the interaction between HIV-1 integrase and LEDGF/p75 interaction using E-pharmacophore modeling …
The rapid increase of HIV-1 infection throughout the globe has a high demand for a superior
drug with lesser side effects. LEDGF/p75, the human Lens Epithelium-Derived Growth …
drug with lesser side effects. LEDGF/p75, the human Lens Epithelium-Derived Growth …
Structure-based virtual screening for the identification of high affinity compounds as potent VEGFR2 inhibitors for the treatment of renal cell carcinoma
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 …
worldwide which is characterized by sustained angiogenesis. VEGF and its receptors play a …
[HTML][HTML] Design of PD-L1 inhibitors for lung cancer
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 …
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 …
cause of cancer death in the USA as reported by NIH. Epidermal Growth Factor Receptor …