Precision medicine review: rare driver mutations and their biophysical classification

R Nussinov, H Jang, CJ Tsai, F Cheng - Biophysical reviews, 2019 - Springer
How can biophysical principles help precision medicine identify rare driver mutations? A
major tenet of pragmatic approaches to precision oncology and pharmacology is that driver …

Walking a tightrope: drug discovery in visceral leishmaniasis

R Balana-Fouce, MYP Pertejo… - Drug Discovery …, 2019 - Elsevier
Highlights•Global collaborative efforts are filling the pipeline of new antileishmanial
drugs.•Target and phenotypic assays are complementary in providing new first-in-class …

Improved prediction of aqueous solubility of novel compounds by going deeper with deep learning

Q Cui, S Lu, B Ni, X Zeng, Y Tan, YD Chen… - Frontiers in …, 2020 - frontiersin.org
Aqueous solubility is an important physicochemical property of compounds in anti-cancer
drug discovery. Artificial intelligence solubility prediction tools have scored impressive …

[HTML][HTML] Thiophene derivatives activity against the protozoan parasite Leishmania infantum

S Bigot, P Leprohon, A Vasquez, R Bhadoria… - International Journal for …, 2023 - Elsevier
Treatments against leishmaniasis are limited and the development of new molecules is
crucial. One class of developmental drug that has shown activity against the parasite …

Experimental structure based drug design (SBDD) applications for anti‐leishmanial drugs: A paradigm shift?

M Marín, M López, L Gallego‐Yerga… - Medicinal Research …, 2024 - Wiley Online Library
Leishmaniasis is a group of neglected tropical diseases caused by at least 20 species of
Leishmania protozoa, which are spread by the bite of infected sandflies. There are three …

In Vitro and In Silico Approaches for the Antileishmanial Activity Evaluations of Actinomycins Isolated from Novel Streptomyces smyrnaeus Strain UKAQ_23

KA Qureshi, I Al Nasr, WS Koko, TA Khan, MQ Fatmi… - Antibiotics, 2021 - mdpi.com
Leishmaniasis, a Neglected Tropical Parasitic Disease (NTPD), is induced by several
Leishmania species and is disseminated through sandfly (Lutzomyia longipalpis) bites. The …

Cutaneous leishmaniasis: new oral therapeutic approaches under development

ML de Souza, WM Dos Santos… - International Journal …, 2022 - Wiley Online Library
Abstract The World Health Organization (WHO) classifies leishmaniasis as a disease for
which the development of new treatments is a priority. Available drugs are not fully effective …

Synthesis and biological evaluation of 4, 7, 9-trisubstituted benzoxazepines as antileishmanial agents

TM Kadayat, S Kwiatkowski, D Ortiz, G Shoeran… - Bioorganic & Medicinal …, 2024 - Elsevier
Herein we report a series of antileishmanial analogues derived from 4-[(3, 5-dimethyl-4-
isoxazolyl) acetyl]-9-[(1-methyl-3-piperidinyl) methoxy]-7-(5-methyl-2-thienyl)-2, 3, 4, 5 …

Optimization of Orally Bioavailable Antileishmanial 2, 4, 5-Trisubstituted Benzamides

HS Kim, D Ortiz, TM Kadayat, CM Fargo… - Journal of Medicinal …, 2023 - ACS Publications
Leishmaniasis, a neglected tropical disease caused by Leishmania species parasites,
annually affects over 1 million individuals worldwide. Treatment options for leishmaniasis …

Discovery and Optimization of Tambjamines as a Novel Class of Antileishmanial Agents

P Kancharla, D Ortiz, CM Fargo, X Zhang… - Journal of medicinal …, 2024 - ACS Publications
Leishmaniasis is a neglected tropical disease that is estimated to afflict over 12 million
people. Current drugs for leishmaniasis suffer from serious deficiencies, including toxicity …