In silico methods and tools for drug discovery

B Shaker, S Ahmad, J Lee, C Jung, D Na - Computers in biology and …, 2021 - Elsevier
In the past, conventional drug discovery strategies have been successfully employed to
develop new drugs, but the process from lead identification to clinical trials takes more than …

Computer-aided drug discovery approaches against the tropical infectious diseases malaria, tuberculosis, trypanosomiasis, and leishmaniasis

PM Njogu, EM Guantai, E Pavadai… - ACS infectious …, 2016 - ACS Publications
Despite the tremendous improvement in overall global health heralded by the adoption of
the Millennium Declaration in the year 2000, tropical infections remain a major health …

In Silico Screening of Isocitrate Lyase for Novel Anti-Buruli Ulcer Natural Products Originating from Africa

SK Kwofie, B Dankwa, EA Odame, FE Agamah… - Molecules, 2018 - mdpi.com
Buruli ulcer (BU) is caused by Mycobacterium ulcerans and is predominant in both tropical
and subtropical regions. The neglected debilitating disease is characterized by chronic …

In silico discovery and in vitro activity of inhibitors against Mycobacterium tuberculosis 7,8-diaminopelargonic acid synthase (Mtb BioA)

JB Billones, MCO Carrillo, VG Organo… - Drug design …, 2017 - Taylor & Francis
Computer-aided drug discovery and development approaches such as virtual screening,
molecular docking, and in silico drug property calculations have been utilized in this effort to …

In ovo and in silico evaluation of the anti-angiogenic potential of syringin

CA Aventurado, JB Billones, RD Vasquez… - Drug Design …, 2020 - Taylor & Francis
Introduction Cancer is considered as one of the deadliest human diseases today.
Angiogenesis, the propagation of new blood vessels from pre-existing vasculature, is a …

Virtual Screening for SARS-COV-2 Entry Inhibitors by Dual Targeting of TMPRSS2 and CTSL

ILS Virtucio, JM Punzalan… - Pharmacophore, 2023 - pharmacophorejournal.com
Coronaviruses (CoVs) are known for disease outbreaks that received global attention due to
their capability to cause mortality in humans. These include the 2002-2004 severe acute …

In silico discovery of natural products against dengue rna-dependent rna polymerase drug target

JB Billones, NAB Clavio - Chem-Bio Informatics Journal, 2021 - jstage.jst.go.jp
The viral infection caused by the dengue virus (DENV) is one of the most challenging
diseases in the tropical regions of the world. The absence of drugs for dengue to this date …

[PDF][PDF] Molecular Docking Interaction of Mycobacterium Tuberculosis LipB Enzyme with Isoniazid, Pyrazinamide and a Structurally Altered Drug 2, 6 …

M Namasivayam, SR Subashchandrabose - Bioinformatics, 2015 - nova.newcastle.edu.au
Tuberculosis is an infectious airborne disease caused by a bacterial infection that affects the
lungs and other parts of the body. Vaccination against tuberculosis is available but proved to …

[PDF][PDF] COMPUTATIONAL APPROACH TO DESIGN ANTAGONISTS OF MYCOBACTERIUM TUBERCULOSIS LIPOPROTEIN LPRG (RV1411C) PROTEIN

AH SYED, T KHAN, A HASHMI - academia.edu
Evolution of multi-drug resistance strains of Mycobacterium tuberculosis (MTB) has in the
past caused severe epidemics of tuberculosis across the globe thereby it raises a question …

Computational Approach to Design Antagonists of Mycobacterium Tuberculosis Lipoprotein Lprg (RV1411C) Protein

SA Hassan, T Khan, A Hashmi - VAWKUM Transactions on Computer …, 2016 - vfast.org
Evolution of multi-drug resistance strains of Mycobacterium tuberculosis (MTB) has in the
past caused severe epidemics of tuberculosis across the globe thereby it raises a question …