The mur enzymes chink in the armour of Mycobacterium tuberculosis cell wall

Y Shinde, I Ahmad, S Surana, H Patel - European Journal of Medicinal …, 2021 - Elsevier
Tuberculosis (TB) transmitted by Mycobacterium tuberculosis (Mtb) is one of the top 10
causes of death globally. Currently, the widespread occurrence of resistance toward Mtb …

High throughput virtual screening reveals SARS-CoV-2 multi-target binding natural compounds to lead instant therapy for COVID-19 treatment

B Naik, N Gupta, R Ojha, S Singh, VK Prajapati… - International Journal of …, 2020 - Elsevier
The present-day world is severely suffering from the recently emerged SARS-CoV-2. The
lack of prescribed drugs for the deadly virus has stressed the likely need to identify novel …

Targeting polyketide synthase 13 for the treatment of tuberculosis

F Xia, H Zhang, H Yang, M Zheng, W Min, C Sun… - European Journal of …, 2023 - Elsevier
Tuberculosis (TB) is one of the most threatening diseases for humans, however, the drug
treatment strategy for TB has been stagnant and inadequate, which could not meet current …

Identification of Novel SARS‐CoV‐2 Inhibitors: A Structure‐Based Virtual Screening Approach

A El Aissouq, O Chedadi, M Bouachrine… - Journal of …, 2021 - Wiley Online Library
The recent outbreak of the coronavirus disease 2019 (COVID‐19) caused by SARS‐CoV‐2
(severe acute respiratory syndrome coronavirus 2) in the last few months raised global …

Rational designing of peptide-ligand conjugates-based immunotherapy for the treatment of complicated malaria

P Godara, B Naik, R Meghwal, R Ojha, V Srivastava… - Life Sciences, 2022 - Elsevier
Aims Malaria deaths occur primarily due to complicated malaria associated with the
sequestration of Plasmodium falciparum-infected erythrocyte (Pf IE) in the capillary …

Discovery of potential antiviral compounds against hendra virus by targeting its receptor-binding protein (G) using computational approaches

F Ahmad, A Albutti, MH Tariq, G Din, M Tahir ul Qamar… - Molecules, 2022 - mdpi.com
Hendra virus (HeV) belongs to the paramyxoviridae family of viruses which is associated
with the respiratory distress, neurological illness, and potential fatality of the affected …

Structure-based virtual screening approach reveals natural multi-target compounds for the development of antimalarial drugs to combat drug resistance

B Naik, N Gupta, P Godara, V Srivastava… - Journal of …, 2024 - Taylor & Francis
Compared to the previous year, there has been an increase of nearly 2 million malaria
cases in 2021. The emergence of drug-resistant strains of Plasmodium falciparum, the most …

Identification of potent human carbonic anhydrase IX inhibitors: a combination of pharmacophore modeling, 3D-QSAR, virtual screening and molecular dynamics …

V Chahal, S Nirwan, M Pathak… - Journal of Biomolecular …, 2022 - Taylor & Francis
Human carbonic anhydrase IX (hCA IX) is a promising target for the development of
potential anticancer agents. In the current study, pharmacophore and 3D-QSAR models …

In silico screening of dicoumarols as potential Mur B enzyme inhibitors in Mycobacterium tuberculosis: molecular docking, ADME, QSAR and MD simulations

Mansi, P Khanna, S Yadav, A Singh… - Journal of Biomolecular …, 2024 - Taylor & Francis
UDP-N-acetylenolpyruvoylglucosamine reductase (Mur B) from Mycobacterium tuberculosis
has gathered significant pharmaceutical interest as a pivotal target because of its essential …

Molecular docking based comparative study of antiviral compounds on SARS-CoV-2 spike protein

S Nagavarapu, J Kumar, PK Biswal - Natural Product Research, 2024 - Taylor & Francis
The urgent need for effective therapeutic interventions against SARS-CoV-2 has prompted
extensive exploration of potential drug candidates. Among the viral proteins, the spike (S) …