Discovery of novel inhibitors of Mycobacterium tuberculosis MurG: homology modelling, structure based pharmacophore, molecular docking, and molecular dynamics …

S Saxena, M Abdullah, D Sriram… - Journal of Biomolecular …, 2018 - Taylor & Francis
MurG (Rv2153c) is a key player in the biosynthesis of the peptidoglycan layer in
Mycobacterium tuberculosis (Mtb). This work is an attempt to highlight the structural and …

Multiple e-pharmacophore modelling pooled with high-throughput virtual screening, docking and molecular dynamics simulations to discover potential inhibitors of …

S Saxena, L Durgam, L Guruprasad - Journal of Biomolecular …, 2019 - Taylor & Francis
Development of new antimalarial drugs continues to be of huge importance because of the
resistance of malarial parasite towards currently used drugs. Due to the reliance of parasite …

Identification and development of benzoxazole derivatives as novel bacterial glutamate racemase inhibitors

P Malapati, VS Krishna, R Nallangi… - European Journal of …, 2018 - Elsevier
In the present study, we attempted to develop novel class of Mycobacterium tuberculosis
(Mtb) inhibitors by exploring the pharmaceutically underexploited enzyme targets which are …

Lead identification and optimization of bacterial glutamate racemase inhibitors

P Malapati, VS Krishna, R Nallangi, N Meda… - Bioorganic & Medicinal …, 2018 - Elsevier
Mycobacterium tuberculosis glutamate racemase is an essential enzyme involved in
peptidoglycan synthesis and conserved in most bacteria. Small molecule inhibitors were …

[HTML][HTML] Identification of coumarin derivatives targeting acetylcholinesterase for Alzheimer's disease by field-based 3D-QSAR, pharmacophore model-based virtual …

B Saha, A Das, K Jangid, A Kumar, V Kumar… - Current Research in …, 2024 - Elsevier
Alzheimer's disease (AD) leads to gradual memory loss including other compromised
cognitive abilities. Acetylcholinesterase (AChE), an important biochemical enzyme from the …

Exploration of Mycobacterium tuberculosis structural proteome: An in-silico approach

MY Lone, SP Kumar, M Athar, PC Jha - Journal of Theoretical Biology, 2018 - Elsevier
Pharmacophore approaches are of central contour in drug discovery. However, the
dependence of ligand–based pharmacophore model on appropriate training set molecules …

Identification and development of novel indazole derivatives as potent bacterial peptidoglycan synthesis inhibitors

P Malapati, VS Krishna… - The International Journal …, 2018 - journals.lww.com
Background: Tuberculosis is well-known airborne disease caused by Mycobacterium
tuberculosis. Available treatment regimen was unsuccessful in eradicating the deaths …

Advances in computational studies of potential drug targets in Mycobacterium tuberculosis

SM Alladi - Current topics in medicinal chemistry, 2018 - ingentaconnect.com
Tuberculosis continues to remain as one of the leading causes of death worldwide, in spite
of significant progress being made in the last twenty years through increased compliance to …

[PDF][PDF] A Review on Tuberclosis and Its Chemotherapeutic Agents

S Patel, AK Sen, DK Dash, M Kumari, S Baile… - 2023 - researchgate.net
One of the earliest diseases known to afflict humans, tuberculosis (TB), which is brought on
by germs from the Mycobacterium tuberculosis complex, is a leading cause of death …

Identification and development of oxoquinazoline derivatives as novel mycobacterial inhibitors targeting cell wall synthesis enzyme

P Malapati, KS Vagolu, D Sriram - Biomedical and Biotechnology …, 2018 - journals.lww.com
Background: Tuberculosis (TB) still remains the leading cause of death worldwide and was
unanswered till date. Available treatment strategies have many drawbacks such as longer …