G
Gerardo M. Casañola-Martin
Researcher at Carleton University
Publications - 56
Citations - 822
Gerardo M. Casañola-Martin is an academic researcher from Carleton University. The author has contributed to research in topics: Quantitative structure–activity relationship & Virtual screening. The author has an hindex of 18, co-authored 49 publications receiving 693 citations. Previous affiliations of Gerardo M. Casañola-Martin include Hanoi University & University of Ciego de Ávila.
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TOMOCOMD-CARDD descriptors-based virtual screening of tyrosinase inhibitors: evaluation of different classification model combinations using bond-based linear indices.
Gerardo M. Casañola-Martin,Gerardo M. Casañola-Martin,Yovani Marrero-Ponce,Yovani Marrero-Ponce,Mahmud Tareq Hassan Khan,Mahmud Tareq Hassan Khan,Arjumand Ather,Sadia Sultan,Francisco Torrens,Richard Rotondo +9 more
TL;DR: The fitted discriminant functions were used in the selection/identification of new ethylsteroids isolated from herbal plants, looking for tyrosinase inhibitory activity, and provided useful clues that can be used to speed up in the identification of new tyosinase inhibitor compounds.
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Dragon method for finding novel tyrosinase inhibitors: Biosilico identification and experimental in vitro assays.
Gerardo M. Casañola-Martin,Yovani Marrero-Ponce,Yovani Marrero-Ponce,Mahmud Tareq Hassan Khan,Mahmud Tareq Hassan Khan,Arjumand Ather,Khalid Mohammed Khan,Francisco Torrens,Richard Rotondo +8 more
TL;DR: These fitted models were used in the screening of new bipiperidine series as new tyrosinase inhibitors and are an adequate alternative to the process of selection/identification of new bioactive compounds.
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New tyrosinase inhibitors selected by atomic linear indices-based classification models.
Gerardo M. Casañola-Martin,Mahmud Tareq Hassan Khan,Mahmud Tareq Hassan Khan,Yovani Marrero-Ponce,Yovani Marrero-Ponce,Arjumand Ather,M. N. Sultankhodzhaev,Francisco Torrens +7 more
TL;DR: The use of the atom-based linear indices for finding functions that discriminate between the tyrosinase inhibitor compounds and inactive ones is presented and these fitted models were used in the screening of new cycloartane compounds isolated from herbal plants.
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Bond-Based 2D Quadratic Fingerprints in QSAR Studies. Virtual and In Vitro Tyrosinase Inhibitory Activity Elucidation
Gerardo M. Casañola-Martin,Gerardo M. Casañola-Martin,Yovani Marrero-Ponce,Yovani Marrero-Ponce,Mahmud Tareq Hassan Khan,Sher Bahadar Khan,Francisco Torrens,Facundo Pérez-Jiménez,Antonio Rescigno,Concepción Abad +9 more
TL;DR: The results of quantitative structure–activity relationship (QSAR) studies of tyrosinase inhibitory activity are shown, by using the bond‐based quadratic indices as molecular descriptors and linear discriminant analysis (LDA) to generate discriminant functions to predict the anti‐tyrosinases activity.
Journal ArticleDOI
Tyrosinase Enzyme: 1. An Overview on a Pharmacological Target
Gerardo M. Casañola-Martin,Huong Le-Thi-Thu,Yovani Marrero-Ponce,Juan A. Castillo-Garit,Francisco Torrens,Antonio Rescigno,Concepción Abad,Mahmud Tareq Hassan Khan +7 more
TL;DR: An approximation to general aspects related to this enzyme is made, which is treated the researches that have been published in the part of the biochemical anatomy dealing with diseases associated with this protein (melanogenesis), its active place and its physiological states, the molecular mechanism, the methods carried out to detect the inhibitory activity, and the used substrates.