In silico studies in drug research against neurodegenerative diseases
FR Makhouri, JB Ghasemi - Current neuropharmacology, 2018 - ingentaconnect.com
Background: Neurodegenerative diseases such as Alzheimer's disease (AD), amyotrophic
lateral sclerosis, Parkinson's disease (PD), spinal cerebellar ataxias, and spinal and bulbar …
lateral sclerosis, Parkinson's disease (PD), spinal cerebellar ataxias, and spinal and bulbar …
The advancement of multidimensional QSAR for novel drug discovery-where are we headed?
T Wang, X Yuan, MB Wu, JP Lin… - Expert opinion on drug …, 2017 - Taylor & Francis
ABSTRACT Introduction: The Multidimensional quantitative structure− activity relationship
(multidimensional-QSAR) method is one of the most popular computational methods …
(multidimensional-QSAR) method is one of the most popular computational methods …
Pyrazinamide drug resistance in RpsA mutant (∆438A) of Mycobacterium tuberculosis: Dynamics of essential motions and free‐energy landscape analysis
Pyrazinamide is an essential first‐line antitubercular drug which plays pivotal role in
tuberculosis treatment. It is a prodrug that requires amide hydrolysis by mycobacterial …
tuberculosis treatment. It is a prodrug that requires amide hydrolysis by mycobacterial …
Drug repurposing against arabinosyl transferase (EmbC) of Mycobacterium tuberculosis: Essential dynamics and free energy minima based binding mechanics …
Arabinosyl tranferases (embA, embB, embC) are the key enzymes responsible for
biogenesis of arabinan domain of arabinogalactan (AG) and lipoarabinomannan (LAM), two …
biogenesis of arabinan domain of arabinogalactan (AG) and lipoarabinomannan (LAM), two …
Repurposing drug molecule against SARS-Cov-2 (COVID-19) through molecular docking and dynamics: a quick approach to pick FDA-approved drugs
N Farhat, AU Khan - Journal of Molecular Modeling, 2021 - Springer
A novel coronavirus known as severe acute respiratory syndrome is rapidly spreading
worldwide. The international health authorities are putting all their efforts on quick diagnosis …
worldwide. The international health authorities are putting all their efforts on quick diagnosis …
Broad-spectrum inhibitors against class A, B, and C type β-lactamases to block the hydrolysis against antibiotics: kinetics and structural characterization
The emergence of antibiotic resistance has led to a global crisis for the physician to handle
infection control issues. All antibiotics, including colistin, have lost efficiency against …
infection control issues. All antibiotics, including colistin, have lost efficiency against …
Role of pncA gene mutations W68R and W68G in pyrazinamide resistance
Mycobacterium tuberculosis (Mtb) resistance toward anti‐tuberculosis drugs is a widespread
problem. Pyrazinamide (PZA) is a first line antitubercular drug that kills semi‐dormant bacilli …
problem. Pyrazinamide (PZA) is a first line antitubercular drug that kills semi‐dormant bacilli …
Novel urushiol derivatives as HDAC8 inhibitors: Rational design, virtual screening, molecular docking and molecular dynamics studies
H Zhou, C Wang, T Deng, R Tao… - Journal of Biomolecular …, 2018 - Taylor & Francis
Three series of novel urushiol derivatives were designed by introducing a hydroxamic acid
moiety into the tail of an alkyl side chain and substituents with differing electronic properties …
moiety into the tail of an alkyl side chain and substituents with differing electronic properties …
Inhibitors against New Delhi metallo-betalactamase-1 (NDM-1) and its variants endemic in Indian settings along with the laboratory functional gain mutant of NDM-1
N Farhat, AU Khan - European Journal of Clinical Microbiology & …, 2024 - Springer
Purpose The emergence of NDM-1 producing bacteria has become common in both
hospital and community settings, but no inhibitor has yet been available for clinical …
hospital and community settings, but no inhibitor has yet been available for clinical …
Integrating network, sequence and functional features using machine learning approaches towards identification of novel Alzheimer genes
S Jamal, S Goyal, A Shanker, A Grover - BMC genomics, 2016 - Springer
Background Alzheimer's disease (AD) is a complex progressive neurodegenerative disorder
commonly characterized by short term memory loss. Presently no effective therapeutic …
commonly characterized by short term memory loss. Presently no effective therapeutic …